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Investigations on the organic drift in North Swedish streams
Limitations of Using Microsoft Excel Version 2016 (MS Excel 2016) for Statistical Analysis for Medical Research
Phloem necrosis of coffee in Surinam
Anatomy of Mystus seenghala IV Nervous system
Integrated farming system for gardenland conditions of Coimbatore district - an over view
Tetrapleure (Tetrapleura tetraptera), an unknown African medicinal and spice plant
The origin and phylogenetic significance of the trochophoran larvae 2. evolutionary significance of the larvae of coelomate worms and mollusks
Comparison of rice bran and maize bran as feeds for growing and fattening pigs
Enterobacter amnigenus. An unusual human pathogen
Influence of Seriboost foliar application on leaf yield and leaf protein content in mulberry (Morus spp.), in relation to silkworm cocoon production
The identity of the lipstick mold of cultivated mushrooms agaricus bisporus
Advantages and disadvantages of bordeaux mixture and of lime-sulphur used on apples in the growing season
'Pan-sukh' disease of Rice in the Central Provinces
Geological age of the Ptilophyllum flora; a critical reassessment
Study of vitellogenesis in birds; physiological phases & role of folliculin in vitellogenesis
Evaluation of WCT coconut and Komadan coconut
Therapy for acne with saccharomyces boulardii
Evidence for Late Cretaceous N-S dextral shear in the west-central crystalline core, North Cascades, Washington
'Rajeshwari' - a high-yielding white seeded variety of sesame for Andhra Pradesh
Manufacture of Ricotta cheese from whey fortified with skim milk powder using different acidulants
Occurrence of Eutrichophilus mexicanus (Rudow, 1866) and Eutrichophilus lobatus (Ewing, 1936) (Phthiraptera: Trichodectidae) on Sphiggurus villosus (Cuvier, 1825) (Rodentia: Erethizontidae) in Rio de
Factors affecting fruitfulness in durian (Durio zibethinus Murr.). I. Flowering and pollination
Bronchial cuff pressure change caused by left-sided double-lumen endobronchial tube displacement
Some Biological Applications of Organometallic Compounds
The composition of pampas-grass (Cortaderia argentea.)

List of PDF Full Texts available from EurekaMag Chapter 67205

Chapter 67205 contains a list of PDF Full Texts available from EurekaMag.




SiC 2 Revisited in a Dft Light
, The Journal of Physical Chemistry A 103(16): 3073-3077 (1999)

Ground and Low-Lying States of the Vanadium Boride Cation, Vb + : An ab Initio Investigation
, The Journal of Physical Chemistry A 103(17): 3336-3345 (1999)

Theoretical Study of C n P, C n P + , C n P - ( n = 17) Clusters
, The Journal of Physical Chemistry A 103(18): 3518-3524 (1999)

Rapid Vibrational Quenching of Co(V) by H 2 O and C 2 H 2
, The Journal of Physical Chemistry A 103(37): 7395-7400 (1999)

Photoconductivity Detected Magnetic Resonance Study on Photoinduced Electron-Transfer Reaction of Xanthone and N,N -Diethylaniline in 2-Propanol
, The Journal of Physical Chemistry A 103(21): 4137-4140 (1999)

Analysis of Spatial Contribution to the Second Hyperpolarizabilities of -Conjugated Systems Involving Sulfur Atoms
, The Journal of Physical Chemistry A 103(16): 3103-3109 (1999)

Density Functional Study of Systems with Nondynamical Electron Correlation: The S 3 , Se 3 , and Te 3 Potential Energy Surfaces
, The Journal of Physical Chemistry A 103(20): 4078-4084 (1999)

High-Resolution Epr and Quantum Effects on Ch 3 , Ch 2 D, Chd 2 , and Cd 3 Radicals under Argon Matrix Isolation Conditions
, The Journal of Physical Chemistry A 103(25): 4823-4829 (1999)

Equilibrium Partial Pressures, Thermodynamic Properties of Aqueous and Solid Phases, and Cl 2 Production from Aqueous Hcl and Hno 3 and Their Mixtures
, The Journal of Physical Chemistry A 103(21): 4209-4226 (1999)

Study on the No 3 Radical Reactivity: Reactions with Cyclic Alkenes
, The Journal of Physical Chemistry A 103(27): 5321-5327 (1999)

Infrared Spectra of Matrix-Isolated [OcX 2 ] and [CoX 2 ] Complexes (X = Cl, Br) and ab Initio Calculations
, The Journal of Physical Chemistry A 103(15): 2624-2631 (1999)

Conformational Dynamics of 5,11,17,23-Tetra- p - tert -butyl-25,27-di( N , N - diethylaminocarbonyl)methoxy-26,28-dimethoxycalix[4]arene and Its Kinetics and Mechanisms of the Cesium Cation Complexation in Solution Studied by 1 H, 13 C, and 133 Cs Nmr Spectroscopy
, The Journal of Physical Chemistry A 103(46): 9204-9210 (1999)

A Gas-Phase Basicity Scale for Selenocarbonyl Compounds Based on High-Level ab Initio and Density Functional Theory Calculations
, The Journal of Physical Chemistry A 103(11): 1662-1668 (1999)

Onium Salt Effects on p -Terphenyl-Sensitized Photoreduction of Water to Hydrogen
, The Journal of Physical Chemistry A 103(25): 4874-4878 (1999)

Structural, Rotational, Vibrational, and Electronic Properties of Ionized Carbon Clusters C n + ( n = 419)
, The Journal of Physical Chemistry A 103(26): 5137-5151 (1999)

Microsolvation of Hn 2 + in Argon: Infrared Spectra and ab Initio Calculations of Ar n Hn 2 + ( n = 113)
, The Journal of Physical Chemistry A 103(16): 2982-2991 (1999)

Coexistence of Neutral and Ion-Pair Clusters of Hydrated Sulfuric Acid H 2 So 4 (H 2 O) n ( n = 15)A Molecular Orbital Study
, The Journal of Physical Chemistry A 103(18): 3535-3547 (1999)

Chloroform Anion Fragmentation in Liquid Methylcyclohexane: t -0.6 Simulation of the Geminate Ion Kinetics
, The Journal of Physical Chemistry A 103(26): 4986-4992 (1999)

Ab Initio Calculations of 1 H and 13 C Chemical Shifts in Anhydrodeoxythymidines
, The Journal of Physical Chemistry A 103(20): 4089-4093 (1999)

Temperature Dependence of the Rate Constant for the Reaction Hco + O 2 Ho 2 + Co at T = 200398 K
, The Journal of Physical Chemistry A 103(16): 3038-3043 (1999)

The a 1 g X 3 g - Transition in Molecular Oxygen: Interpretation of Solvent Effects on Spectral Shifts
, The Journal of Physical Chemistry A 103(18): 3418-3422 (1999)

New Assignment of the Electronically Excited States of Anthracene-9,10-endoperoxide and Its Derivatives: A Critical Experimental and Theoretical Study
, The Journal of Physical Chemistry A 103(20): 3843-3853 (1999)

Solvation of Sodium Chloride: An Effective Fragment Study of NaCl(H 2 O) n
, The Journal of Physical Chemistry A 103(21): 4162-4166 (1999)

Hydrogen Abstraction from Methane and Hydrofluoromethanes by Oh Radical: Modified Gaussian-2 Study
, The Journal of Physical Chemistry A 103(18): 3548-3553 (1999)

Ab Initio Quantum Chemical Studies of the Formaldiminoxy (Ch 2 No) Radical: 1. Isomerization Reactions
, The Journal of Physical Chemistry A 103(23): 4505-4513 (1999)

Ab Initio Quantum Chemical Studies of the Formaldiminoxy (Ch 2 No) Radical: 2. Dissociation Reactions
, The Journal of Physical Chemistry A 103(23): 4514-4524 (1999)

Anions of the Hydrogen-Bonded Uracil Dimer. Ab Initio Theoretical Study
, The Journal of Physical Chemistry A 103(29): 5784-5790 (1999)

Reaction of Aqueous 2-( N -Methylamino)ethanol Solutions with Carbon Dioxide. Chemical Species and Their Conformations Studied by Vibrational Spectroscopy and ab Initio Theories
, The Journal of Physical Chemistry A 103(21): 4283-4292 (1999)

Characterization of the Reaction Products of Laser-Ablated Early Lanthanide Metal Atoms with Molecular Oxygen. Infrared Spectra of LnO, LnO + , LnO - , LnO 2 , LnO 2 + , LnO 2 - , LnO 3 - , and (LnO) 2 in Solid Argon
, The Journal of Physical Chemistry A 103(17): 3171-3183 (1999)

Hydrated Clusters of 2-Phenylethyl Alcohol and 2-Phenylethylamine: Structure, Bonding, and Rotation of the S 1 S 0 Electronic Transition Moment
, The Journal of Physical Chemistry A 103(19): 3618-3628 (1999)

Theoretical Study of H m GaPh n . Characteristics of Gallium Phosphorus Multiple Bonds
, The Journal of Physical Chemistry A 103(26): 5152-5160 (1999)

Reduction Potentials of So 3 - , So 5 - , and S 4 O 6 3- Radicals in Aqueous Solution
, The Journal of Physical Chemistry A 103(18): 3581-3588 (1999)

Conformational Analysis of Malonamide, N , N -Dimethylmalonamide, and N , N , N , N -Tetramethylmalonamide
, The Journal of Physical Chemistry A 103(18): 3554-3561 (1999)

Molecular Orbital Study of Crystalline p -Benzoquinone
, The Journal of Physical Chemistry A 103(35): 7042-7046 (1999)

Electron Nucleus Resonances and Magnetic Field Accelerations in the Ortho Para H 2 Conversion
, The Journal of Physical Chemistry A 103(25): 4964-4968 (1999)

Translational Energy Relaxation of Hot O( 1 D ) Atoms
, The Journal of Physical Chemistry A 103(20): 3999-4001 (1999)

Reactions of C 2 H 5 Radicals with O, O 3 , and No 3 : Decomposition Pathways of the Intermediate C 2 H 5 O Radical
, The Journal of Physical Chemistry A 103(29): 5692-5698 (1999)

Kinetics of C 6 H 5 Radical Reactions with Toluene and Xylenes by Cavity Ringdown Spectrometry
, The Journal of Physical Chemistry A 103(20): 4002-4008 (1999)

Trajectory Calculations of Intermolecular Energy Transfer in H 2 O + Ar Collisions
, The Journal of Physical Chemistry A 103(28): 5409-5415 (1999)

Infrared Spectroscopic and ab Initio Study of HooclO 2
, The Journal of Physical Chemistry A 103(23): 4432-4437 (1999)

Investigation of Free Singly and Doubly Charged Alkali Metal Sulfate Ion Pairs: M + (So 4 2- ) and [M + (So 4 2- )] 2 (M = Na, K)
, The Journal of Physical Chemistry A 103(18): 3423-3429 (1999)

Equilibrium Constant and Enthalpy for the Hydrogen Bonding of Acetic Acid with Tetrahydrofuran in Supercritical Co 2
, The Journal of Physical Chemistry A 103(27): 5240-5245 (1999)

Gas Phase Free Energies of Formation and Free Energies of Solution of C-Centered Free Radicals from Alcohols: A Quantum Mechanical Monte Carlo Study
, The Journal of Physical Chemistry A 103(18): 3562-3568 (1999)

Computational Studies on the Stability of [Amide]Br - Complexes
, The Journal of Physical Chemistry A 103(19): 3778-3782 (1999)

Ionization Energies and Bonding Scheme of Multiple-Decker Sandwich Clusters: M n (C 6 H 6 ) n +1
, The Journal of Physical Chemistry A 103(23): 4533-4542 (1999)

Binding Energy of F(H 2 O) - and the Simulation of Fluoride Water Clusters Using a Hybrid Qm/Mm (Fluctuating Charge) Potential
, The Journal of Physical Chemistry A 103(20): 4094-4100 (1999)

A Pulsed Source for Kr(5s[3/2] 1 ) Resonance State Atoms Using Two-Photon-Driven Amplified Spontaneous Emission: Measurement of Quenching Rate Constants
, The Journal of Physical Chemistry A 103(20): 4016-4025 (1999)

Femtosecond Time-Resolved Dynamics of Geminate and Nongeminate Recombination: Iodine Enclosed in the Nanocavities of a Microporous SiO 2 Modification
, The Journal of Physical Chemistry A 103(20): 3854-3863 (1999)

Singlet Triplet Gap in - n -Dehydrotoluene and Related Biradicals: An ab Initio Configuration Interaction Study
, The Journal of Physical Chemistry A 103(31): 6220-6224 (1999)

Kinetic Study of Ca( 1 S) + N 2 O and Sr( 1 S) + N 2 O Reactions in the Temperature Ranges of, Respectively, 3031015 and 303999 K
, The Journal of Physical Chemistry A 103(27): 5328-5335 (1999)

Laser Flash Photolysis Studies of Radical Radical Reaction Kinetics: The Ho 2 + Io Reaction
, The Journal of Physical Chemistry A 103(17): 3228-3236 (1999)

Structural Study of Aryl Selenides in Solution Based on 77 Se Nmr Chemical Shifts: Application of the Giao Magnetic Shielding Tensor of the 77 Se Nucleus
, The Journal of Physical Chemistry A 103(31): 6074-6081 (1999)

A Theoretical Study of the Cluster Vibrations in Cr 2 O 2 , Cr 2 O 3 , and Cr 2 O 4
, The Journal of Physical Chemistry A 104(5): 990-994 (2000)

Absolute Rate Constant and Product Branching Fractions for the Reaction between F and C 2 H 4 at T = 202298 K
, The Journal of Physical Chemistry A 103(23): 4470-4479 (1999)

Gas-Phase IonMolecule Reactions of Neutral C 60 With the Plasmas of Alkyl Methyl Ethers and Primary Alcohols
, The Journal of Physical Chemistry A 103(43): 8634-8639 (1999)

Generation of Two Isomers of C 5 H from the Corresponding Anions. A Theoretically Motivated Mass Spectrometric Study
, The Journal of Physical Chemistry A 103(26): 5161-5170 (1999)

Thermal Stability of OH and OAlkyl Bonds in N -Alkoxyamines. A Density Functional Theory Approach
, The Journal of Physical Chemistry A 103(15): 2899-2905 (1999)

The Singlet Triplet Absorption and Photodissociation of the Hocl, Hobr, and Hoi Molecules Calculated by the Mcscf Quadratic Response Method
, The Journal of Physical Chemistry A 103(36): 7294-7309 (1999)

Structures and Binding Energies of Proton-Bound Pairs of Hcn and Ch 3 Cn with Nh 3 , H 2 O, Hf, Ch 3 Nh 2 , Ch 3 Oh, and Ch 3 F
, The Journal of Physical Chemistry A 103(30): 5905-5909 (1999)

Effects of Molecular Structure and Hydrogen Bonding on the Radiationless Deactivation of Singlet Excited Fluorenone Derivatives
, The Journal of Physical Chemistry A 103(20): 3837-3842 (1999)

18 O-Selective Infrared Multiple Photon Decomposition of Natural and 18 O-Enriched Diisopropyl Ethers
, The Journal of Physical Chemistry A 103(21): 4144-4149 (1999)

Thermodynamics of No + N 2 : Atmospheric Relevance
, The Journal of Physical Chemistry A 103(28): 5547-5550 (1999)

Hydrodesulfurization of FeS + : Predominance of Kinetic over Thermodynamic Control
, The Journal of Physical Chemistry A 103(30): 5925-5934 (1999)

Effects of -Conjugation Attenuation on the Photophysics and Exciton Dynamics of Poly( p -phenylenevinylene) Polymers Incorporating 2,2-Bipyridines
, The Journal of Physical Chemistry A 103(22): 4341-4351 (1999)

Rotational Spectra, Molecular Structure, and Electric Dipole Moment of Propanethial S -Oxide
, The Journal of Physical Chemistry A 103(25): 4948-4954 (1999)

A Density-Functional Theory Investigation of the Radiation Products of l - - Alanine
, The Journal of Physical Chemistry A 103(21): 4303-4308 (1999)

Solvation of Cu 2+ in Liquid Ammonia: Monte Carlo Simulation Including Three-Body Corrections
, The Journal of Physical Chemistry A 103(21): 4298-4302 (1999)

Conformational Studies of an N -Acylated Hindered Amine Light Stabilizer
, The Journal of Physical Chemistry A 103(38): 7665-7671 (1999)

Photodissociation Dynamics of tert -Butyl Hydroperoxide at 193 nm
, The Journal of Physical Chemistry A 103(21): 4150-4154 (1999)

Low-Pressure Study of the Reactions of Br Atoms with Alkenes. 2. Reactions with Ethene and trans -2-Butene
, The Journal of Physical Chemistry A 103(20): 4026-4033 (1999)

Ab Initio Studies of the Reaction of O( 3 P) with ChclF Radical
, The Journal of Physical Chemistry A 103(26): 5075-5079 (1999)

Interaction Energy of the Radon Water (RnH 2 O) Complex
, The Journal of Physical Chemistry A 103(39): 7843-7847 (1999)

Reactions of Laser-Ablated Molybdenum and Tungsten Atoms with Nitric Oxide. Infrared Spectra of the Mn, Nmo, and M- 1 -(No) x ( x = 1, 2, 3, 4) Molecules and (No) 2 + and (No) 2 - Ions in Solid Argon
, The Journal of Physical Chemistry A 103(21): 4167-4173 (1999)

Alternative Reaction Channels and Carbene Intermediates in the Ce 4+ Malonic Acid and Ce 4+ Bromomalonic Acid Reactions. 1. Co 2 Measurements
, The Journal of Physical Chemistry A 103(25): 4885-4892 (1999)

Formation of Oh Radicals in the Gas-Phase Reaction of Propene, Isobutene, and Isoprene with O 3 : Yields and Mechanistic Implications
, The Journal of Physical Chemistry A 103(45): 9003-9012 (1999)

Accurate Heats of Formation for Bf n , Bf n + , Bcl n , and Bcl n + for n = 13
, The Journal of Physical Chemistry A 103(21): 4313-4318 (1999)

Direct Dynamics Study on the Hydrogen Abstraction Reaction Ph 3 + H Ph 2 + H 2
, The Journal of Physical Chemistry A 103(32): 6402-6405 (1999)

Reaction of Ch with H 2 O: Temperature Dependence and Isotope Effect
, The Journal of Physical Chemistry A 103(29): 5699-5704 (1999)

Mass Spectroscopic Observation of [N 3 O] +
, The Journal of Physical Chemistry A 103(28): 5611-5614 (1999)

Temperature Dependence of the Product Branching Ratio of the Cn + O 2 Reaction
, The Journal of Physical Chemistry A 103(19): 3721-3725 (1999)

Single-Crystal 27 Al Nmr of Andalusite and Calculated Electric Field Gradients: the First Complete Nmr Assignment for a 5-Coordinate Aluminum Site
, The Journal of Physical Chemistry A 103(27): 5246-5252 (1999)

A Tyrosyl Radical in an Irradiated Single Crystal of N -Acetyl- l -tyrosine Studied by X-band cw-Epr, High-Frequency Epr, and Endor Spectroscopies
, The Journal of Physical Chemistry A 103(48): 9636-9643 (1999)

Structures of the C 8 H 6 + Cation Formed upon Loss of Acetylene from Ionized Naphthalene
, The Journal of Physical Chemistry A 103(21): 4174-4181 (1999)

Reactions of Laser-Ablated Iridium Atoms with O 2 . Infrared Spectra and Dft Calculations for Iridium Dioxide and Peroxo Iridium(Vi) Dioxide in Solid Argon
, The Journal of Physical Chemistry A 103(21): 4182-4190 (1999)

Vibronic Relaxation among the Clements Bands of So 2 from the E-Band Excitation
, The Journal of Physical Chemistry A 103(37): 7432-7436 (1999)

Raman and Density Functional Study of the S 0 State of Phenothiazine and the Radical Cation of Phenothiazine
, The Journal of Physical Chemistry A 103(24): 4737-4743 (1999)

Reaction of Oh Radical with C 2 H 3 Cl: Rate Constant and Reaction Pathway Analysis
, The Journal of Physical Chemistry A 103(39): 7800-7810 (1999)

Relaxation-Induced Polarization Transfer and the Determination of Methyl Group 13 C Chemical Shielding Anisotropy
, The Journal of Physical Chemistry A 103(27): 5253-5258 (1999)

Central Transition Nuclear Magnetic Resonance in the Presence of Large Quadrupole Couplings: Cobalt-59 Nuclear Magnetic Resonance of Cobaltophthalocyanines
, The Journal of Physical Chemistry A 103(25): 4830-4835 (1999)

A Transition in the Ni 2+ Complex Structure from Six- to Four-Coordinate upon Formation of Ion Pair Species in Supercritical Water: An X-ray Absorption Fine Structure, Near-Infrared, and Molecular Dynamics Study
, The Journal of Physical Chemistry A 103(42): 8471-8482 (1999)

A Definitive Heat of Vaporization of Silicon through Benchmark ab Initio Calculations on SiF 4
, The Journal of Physical Chemistry A 103(23): 4427-4431 (1999)

Kinetics of the Ch 3 O 2 + No Reaction: Temperature Dependence of the Overall Rate Constant and an Improved Upper Limit for the Ch 3 Ono 2 Branching Channel
, The Journal of Physical Chemistry A 103(22): 4378-4384 (1999)

A Theoretical Study of the Reaction of ClOno 2 with Hcl on Ice
, The Journal of Physical Chemistry A 103(20): 3797-3801 (1999)

Photoinduced Isomerization of trans -Acetylene Radical Anion to Vinylidene Radical Anion in 2-Methyltetrahydrofuran
, The Journal of Physical Chemistry A 103(26): 5189-5195 (1999)

Electron Tunneling: A Scattering Problem and a Chemical Approach. Interpretation of Stm O 2 Image
, The Journal of Physical Chemistry A 103(34): 6805-6810 (1999)

Theoretical Study of the Absorption Spectrum of [(Nh 3 ) 5 Ru(4,4-bipyridine)] 2+ in Solution
, The Journal of Physical Chemistry A 103(23): 4438-4445 (1999)

Matrix Isolation Infrared and ab Initio Study of the 1:1 Complexes of Bromocyclopropane with Nh 3 and (Ch 3 ) 3 N: Evidence for a Novel CHN Hydrogen Bond
, The Journal of Physical Chemistry A 103(23): 4572-4579 (1999)

Photoperoxidation of a Diamino Zinc Porphyrazine to the seco -Zinc Porphyrazine: Suicide or Murder?
, The Journal of Physical Chemistry A 103(22): 4352-4358 (1999)

Theoretical Characterization of the Structures and Reactivity of 7-Hydroxyquinoline(H 2 O) n ( n = 13) Complexes
, The Journal of Physical Chemistry A 103(28): 5567-5573 (1999)

14 N/ 15 N and 12 C/ 13 C Equilibrium Isotope Effects on the Electron-Transfer Reaction between N -Methylphenothiazine and Its Radical Cation
, The Journal of Physical Chemistry A 103(35): 6998-7007 (1999)

Excited State Competition in fac -[Re I (dppz)(Co) 3 (py-Ptz)] +
, The Journal of Physical Chemistry A 103(27): 5227-5231 (1999)

High-Level ab Initio Calculations on the Gas-Phase Reactions between C + ( 2 P) and Formic Acid
, The Journal of Physical Chemistry A 103(23): 4543-4552 (1999)

Theoretical Study of Structure and Spectra of Cage Clusters (H 2 O) n , n = 710
, The Journal of Physical Chemistry A 103(25): 4933-4947 (1999)

Inter-Ring Torsions in N -Phenylmaleimide and Its o -Halo Derivatives: An Experimental and Computational Study
, The Journal of Physical Chemistry A 103(32): 6406-6412 (1999)

Reactions of Mixed Pb M + /Methanol Clusters
, The Journal of Physical Chemistry A 103(44): 8792-8798 (1999)

13 C 1 H and 13 C 13 C Spin Coupling Behavior in Aldofuranosyl Rings from Density Functional Theory
, The Journal of Physical Chemistry A 103(19): 3783-3795 (1999)

Equilibrium Structure and Stability of AlC n (n = 2, 3) and AlC n N ( n = 1, 2) Species
, The Journal of Physical Chemistry A 103(46): 9275-9279 (1999)

Picosecond Infrared Spectroscopy of Electronically Excited trans -Stilbene in Solution in the Fingerprint Region
, The Journal of Physical Chemistry A 103(30): 5852-5857 (1999)

Atmospheric Chemistry of Cf 3 C(O)Och 2 Cf 3 : Uv Spectra and Kinetic Data for Cf 3 C(O)Och()Cf 3 and Cf 3 C(O)Och(Oo)Cf 3 Radicals, and Atmospheric Fate of Cf 3 C(O)Och(O)Cf 3 Radicals
, The Journal of Physical Chemistry A 103(29): 5705-5713 (1999)

Distance and Scalar Hh-Coupling Correlations in Transition Metal Dihydrides and Dihydrogen Complexes
, The Journal of Physical Chemistry A 103(24): 4752-4754 (1999)

Stirring Effect on Bistability in a Cstr. 1. Experiments and Simulations for the AsO 3 3- /Io 3 - Reaction
, The Journal of Physical Chemistry A 103(50): 10859-10865 (1999)

Reduction of No with Ch 4 Effected by Copper Oxide Clusters in the Channels of Zsm-5
, The Journal of Physical Chemistry A 103(33): 6514-6516 (1999)

Theoretical Studies of Structures and Ionization Threshold Energies of Water Cluster Complexes with a Group 1 Metal, M(H 2 O) n (M = Li and Na)
, The Journal of Physical Chemistry A 103(31): 6134-6141 (1999)

Triplet Properties and Photoinduced Electron-Transfer Reactions of C 120 , the [2+2] Dimer of Fullerene C 60
, The Journal of Physical Chemistry A 103(36): 7155-7160 (1999)

Ccd Charge Density Study on Crystals with Large Unit Cell Parameters: The Case of Hexagonal l -Cystine
, The Journal of Physical Chemistry A 103(31): 6240-6250 (1999)

Generation of F 2 Cco and F 2 Cco + from Ionized Cf 2 Cfocf 3 . First Experimental Observation of Gas-Phase Neutral Perfluoroketene
, The Journal of Physical Chemistry A 103(26): 5217-5220 (1999)

A Hidden Hydrogen Transfer in the Unimolecular Reaction of 1,2-Dimethoxyethane +
, The Journal of Physical Chemistry A 103(26): 5049-5054 (1999)

Absolute Binding Energies of Sodium Ions to Short Chain Alcohols, C n H 2 n +2 O, n = 14, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory
, The Journal of Physical Chemistry A 103(25): 4955-4963 (1999)

Diffusion and Structure in Water Alcohol Mixtures: Water + tert -Butyl Alcohol (2-Methyl-2-Propanol)
, The Journal of Physical Chemistry A 103(33): 6508-6513 (1999)

Vibronic Relaxation of Polyatomic Molecule in Nonpolar Solvent: Femtosecond Anisotropy/Intensity Measurements of the S n and S 1 Fluorescence of Tetracene
, The Journal of Physical Chemistry A 103(25): 4808-4814 (1999)

Influence of the Collision Energy on the O( 1 D) + Rh Oh(X 2 ) + R (Rh = Ch 4 , C 2 H 6 , C 3 H 8 ) Reaction Dynamics: A Laser-Induced Fluorescence and Quasiclassical Trajectory Study
, The Journal of Physical Chemistry A 104(3): 521-529 (2000)

The Mechanism of the Collision-Induced Enhancement of the a 1 g X 3 g - and b 1 g + a 1 g Radiative Transitions of O 2
, The Journal of Physical Chemistry A 103(31): 6091-6096 (1999)

An ab Initio Study of the [C 2 H 5 O - ] Potential Energy Surface and the Fragmentation Pathways of the Ethoxide Anion
, The Journal of Physical Chemistry A 103(30): 6003-6008 (1999)

Mechanism for Increased Yield with Sf 5 + Projectiles in Organic Sims: The Substrate Effect
, The Journal of Physical Chemistry A 103(24): 4587-4589 (1999)

Large Mass Independent Sulfur Isotope Fractionations during the Photopolymerization of 12 Cs 2 and 13 Cs 2
, The Journal of Physical Chemistry A 103(15): 2477-2480 (1999)

Detailed Microvariational Rrkm Master Equation Analysis of the Product Distribution of the C 2 H 2 + Ch(X 2 ) Reaction over Extended Temperature and Pressure Ranges
, The Journal of Physical Chemistry A 103(28): 5523-5533 (1999)

Molecular Structures of 1,1-Dimethyl-1-silacyclopent-3-ene, (Ch 3 ) 2 SiC 4 H 6 , and 1,1-Dimethyl-1-germacyclopent-3-ene, (Ch 3 ) 2 GeC 4 H 6 , Obtained by Gas-Phase Electron Diffraction and Theoretical Calculations
, The Journal of Physical Chemistry A 103(28): 5574-5580 (1999)

Observation of the A 2 + X 2 Electronic Transition of NaO
, The Journal of Physical Chemistry A 103(17): 3193-3199 (1999)

The Structure and Growth Mechanism of Small Titanium Carbide Clusters: A Competition between C 2 and C 4 Carbon Chains
, The Journal of Physical Chemistry A 103(24): 4762-4768 (1999)

Phenol(Ethanol) 1 Isomers Studied by Double-Resonance Spectroscopy and ab Initio Calculations
, The Journal of Physical Chemistry A 103(30): 5918-5924 (1999)

Photoelectron and Photofragment Velocity Imaging Following the Excitation of Ch 3 I to the A-Band Using fs, ps, and ns Laser Pulses
, The Journal of Physical Chemistry A 103(31): 6106-6113 (1999)

Reduction Potential of the Sulfhydryl Radical: Pulse Radiolysis and Laser Flash Photolysis Studies of the Formation and Reactions of Sh and Hssh - in Aqueous Solutions
, The Journal of Physical Chemistry A 103(27): 5221-5226 (1999)

Dynamics Study of the Ho( v =0) + O 2 ( v ) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
, The Journal of Physical Chemistry A 103(25): 4815-4822 (1999)

Quasiclassical Trajectory Study of Mg(3s3p 1 P 1 ) + H 2 Reaction on Fitted ab Initio Surfaces
, The Journal of Physical Chemistry A 103(40): 7938-7948 (1999)

Transients of the Oxidation of Pyrimidines with So 4 - : Structure and Reactivity of the Resulting Radicals
, The Journal of Physical Chemistry A 103(33): 6571-6579 (1999)

The Electron Affinities of the Selenium Fluorides SeF n ( n = 17)
, The Journal of Physical Chemistry A 103(37): 7496-7505 (1999)

Protein Conformation and Dynamics. Effects of Crankshaft Motions on 1 H Nmr Cross-Relaxation Effects
, The Journal of Physical Chemistry A 103(24): 4664-4672 (1999)

Atomization Energies, Formation Enthalpies, Bond Dissociation Energies, and Adiabatic Electron Affinities of the Pf n /Pf n - Series, n = 16
, The Journal of Physical Chemistry A 103(39): 7856-7860 (1999)

Anionic 5- endo - trig Cyclization of Terminally Difluorinated Homoallylic Alkoxides
, The Journal of Physical Chemistry A 103(34): 6820-6824 (1999)

Theoretical Studies of Structures and Energetics of Benzene Complexes with Nb + and Nb 2 + Cations
, The Journal of Physical Chemistry A 103(29): 5801-5806 (1999)

Photoisomerization of Azobenzenecarboxylic Acids and Their Potassium Salts: Evidence of Structural Volume Changes Associated with Hydrogen Bond Formation
, The Journal of Physical Chemistry A 103(32): 6295-6300 (1999)

The Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters Probed by Raman Spectroscopy, Nmr and Structural Modeling
, The Journal of Physical Chemistry A 104(11): 2410-2422 (2000)

Solvation of Li + by Acetone, Thf, and Diethyl Ether in the Gas Phase and the IonMolecule Association Mechanism
, The Journal of Physical Chemistry A 104(11): 2230-2237 (2000)

Enhanced Reactivity of C 70 in the Photochemical Reactions with Nadh and Nad Dimer Analogues As Compared to C 60 via Photoinduced Electron Transfer
, The Journal of Physical Chemistry A 103(30): 5935-5941 (1999)

Infrared Spectra and Density Functional Calculations of RuCo + , OsCo + , Ru(Co) x , Os(Co) x , Ru(Co) x - and Os(Co) x - ( x = 14) in Solid Neon
, The Journal of Physical Chemistry A 103(35): 6956-6968 (1999)

Gas-Phase Coordination of Mg + , ( c -C 5 H 5 )Mg + , and ( c -C 5 H 5 ) 2 Mg + with Small Inorganic Ligands
, The Journal of Physical Chemistry A 103(32): 6373-6382 (1999)

Is There Any Effect of Solution Microstructure on the Solvated Electron Absorption Spectrum in LiCl/H 2 O Solutions?
, The Journal of Physical Chemistry A 103(32): 6339-6343 (1999)

Reactions of Laser-Ablated Rhodium Atoms with O 2 . Infrared Spectra and Dft Calculations for RhO, OrhO, (O 2 )RhO 2 , Rh 2 O 2 , Rh(O 2 ) and (O 2 )Rh(O 2 ) in Solid Argon
, The Journal of Physical Chemistry A 103(25): 4845-4854 (1999)

Conformations and Barriers of Haloethyl Radicals (Ch 2 Xch 2 , X = F, Cl, Br, I): Ab Initio Studies
, The Journal of Physical Chemistry A 103(33): 6638-6649 (1999)

Theoretical Studies of the Substitution Patterns in Heterofullerenes C 60 - x N x and C 60 - x B x ( x = 28)
, The Journal of Physical Chemistry A 103(50): 10961-10968 (1999)

Principal Energy Transfer Pathways in the Collision of N 2 O(00 0 1) with Toluene- d 8 . A (Wkb) Semiclassical Study
, The Journal of Physical Chemistry A 103(30): 6030-6035 (1999)

Freezing of Small SeF 6 Clusters: Simulations, Nucleation Statistics When Events Are Few, and Effects of Laplace Pressure
, The Journal of Physical Chemistry A 103(29): 5636-5644 (1999)

Sum Frequency Generation of OH Vibrations on the Surface of H 2 O/Hno 3 Solutions and Liquid Hno 3
, The Journal of Physical Chemistry A 103(32): 6383-6386 (1999)

Electronic Structure and Properties of FeO n and FeO n - Clusters
, The Journal of Physical Chemistry A 103(29): 5812-5822 (1999)

Bonding of No 2 to the Au Atom and Au(111) Surface: A Quantum Chemical Study
, The Journal of Physical Chemistry A 103(50): 10969-10974 (1999)

Theoretical Investigation of the O( 3 P) + Chx 2 (X = F, Cl) Reactions
, The Journal of Physical Chemistry A 103(40): 8075-8081 (1999)

High-Level ab Initio Calculations of Interaction Energies of C 2 H 4 Ch 4 and C 2 H 6 Ch 4 Dimers: A Model Study of Ch/ Interaction
, The Journal of Physical Chemistry A 103(41): 8265-8271 (1999)

Rate Constants for Ch 3 + O 2 Ch 3 O + O at High Temperature and Evidence for H 2 Co + O 2 Hco + Ho 2
, The Journal of Physical Chemistry A 103(30): 5942-5948 (1999)

Ultrafast Structural Response of Hydrogen Bonded Complexes to Electronic Excitation in the Liquid Phase
, The Journal of Physical Chemistry A 103(29): 5625-5628 (1999)

Product Branching Ratios in the Nh 2 + No Reaction: A Re-Evaluation
, The Journal of Physical Chemistry A 103(44): 8906-8907 (1999)

The Competitive Effect of Intramolecular Charge Transfer on the Photochromism of Spiro[cyclohexadiene-indolines] Studied by ps-Spectroscopy
, The Journal of Physical Chemistry A 103(35): 6904-6910 (1999)

Imide CisTrans Isomerization of N -Acetyl- N -methylprolineamide and Solvent Effects
, The Journal of Physical Chemistry A 103(28): 5436-5439 (1999)

Variational Transition-State Theory with Optimized Orientation of the Dividing Surface and Semiclassical Tunneling Calculations for Deuterium and Muonium Kinetic Isotope Effects in the Free Radical Association Reaction H + C 2 H 4 C 2 H 5
, The Journal of Physical Chemistry A 103(26): 5061-5074 (1999)

Ab Initio Study for Selective Oxidation of Methane with No x ( x = 1, 2)
, The Journal of Physical Chemistry A 103(41): 8272-8278 (1999)

Rate Coefficient Measurements of the Reaction Ch 3 + O 2 = Ch 3 O + O
, The Journal of Physical Chemistry A 103(30): 5949-5958 (1999)

Electronic Spectroscopy of the AlCh 4 /Cd 4 Complex
, The Journal of Physical Chemistry A 103(30): 5910-5917 (1999)

Structures and Photoelectron Spectroscopies of Si 2 C 2 - Studied with ab Initio Multicanonical Monte Carlo Simulation
, The Journal of Physical Chemistry A 103(32): 6442-6447 (1999)

S 1 S 0 Internal Conversion in Ketene. 1. The Role of Conical Intersections
, The Journal of Physical Chemistry A 103(33): 6658-6668 (1999)

An ab Initio Study of the Kinetics of the Reactions of Halomethanes with the Hydroxyl Radical. 1. Ch 2 Br 2
, The Journal of Physical Chemistry A 104(13): 2931-2938 (2000)

Production of SiO and Si( 3 P) Atom in the Reaction of Silane with O( 1 D)
, The Journal of Physical Chemistry A 103(51): 11315-11320 (1999)

Reactions of Laser-Ablated Y and La Atoms, Cations and Electrons with O 2 . Infrared Spectra and Density Functional Calculations of the Mo, Mo + , Mo 2 , Mo 2 + , and Mo 2 - Species in Solid Argon
, The Journal of Physical Chemistry A 103(33): 6525-6532 (1999)

Two-Color Resonant Four-Wave Mixing Spectra of the C 2 + X 2 (11) Band of Ch in a Flame
, The Journal of Physical Chemistry A 103(31): 6162-6166 (1999)

Dielectric Relaxation of H-Bonded Liquids. Mixtures of Ethanol and n -Hexanol at Different Compositions and Temperatures
, The Journal of Physical Chemistry A 103(31): 6114-6121 (1999)

Aromatic Character of [ n ]Helicenes and [ n ]Phenacenes
, The Journal of Physical Chemistry A 103(33): 6669-6672 (1999)

Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO 4 - , Ni(Co) 4 , and Mn 2 (Co) 10
, The Journal of Physical Chemistry A 103(34): 6835-6844 (1999)

Shock Tube Study of the Oxidation of C 3 F 6 by N 2 O
, The Journal of Physical Chemistry A 103(30): 5967-5977 (1999)

Acceleration of Bimolecular Reactions by Solvent Viscosity 1
, The Journal of Physical Chemistry A 103(27): 5369-5372 (1999)

Heterogeneous Reaction of No 2 : Characterization of Gas-Phase and Adsorbed Products from the Reaction, 2No 2 (g) + H 2 O(a) Hono(g) + Hno 3 (a) on Hydrated Silica Particles
, The Journal of Physical Chemistry A 103(36): 7217-7223 (1999)

Theoretical Study on Spectroscopic Properties of Positive, Neutral, and Negative Species of Bcl 2 and AlCl 2 : The Stability of the Negative Species
, The Journal of Physical Chemistry A 103(34): 6772-6777 (1999)

Structure and Energetics of Hydrogen Bonded Ho x Hno 3 Complexes
, The Journal of Physical Chemistry A 103(30): 6049-6053 (1999)

Enhanced Linear and Nonlinear Polarizabilities for the Li 4 Cluster. How Satisfactory Is the Agreement between Theory and Experiment for the Static Dipole Polarizability?
, The Journal of Physical Chemistry A 103(24): 4590-4593 (1999)

Kinetic Role of Co 2 Escape in the Oscillatory H 2 O 2 Hso 3 - Hco 3 - Flow System
, The Journal of Physical Chemistry A 103(36): 7224-7229 (1999)

Superexchange and Dipole Dipole Energy Transfer from the [Cr(ox) 3 ] 3- of 3D Oxalate Networks to Encapsulated [Cr(bpy) 3 ] 3+
, The Journal of Physical Chemistry A 103(36): 7161-7169 (1999)

Effect of Water on the Hno 3 Pressure Dependence of the Reaction between Gas-Phase Hno 3 and NaCl Surfaces
, The Journal of Physical Chemistry A 103(25): 4777-4781 (1999)

Dissociative Recombination of H 3 O +
, The Journal of Physical Chemistry A 103(33): 6552-6563 (1999)

Reactions of N(2 2 D) with Ch 3 Oh and Its Isotopomers
, The Journal of Physical Chemistry A 103(35): 7026-7031 (1999)

Kinetics and Product Study of the Reaction of Ch 3 Radicals with O( 3 P) Atoms Using Time Resolved Time-of-Flight Spectrometry
, The Journal of Physical Chemistry A 103(29): 5722-5731 (1999)

An Experimental Study of the Low-Lying Electronic States of Wo 2
, The Journal of Physical Chemistry A 103(31): 6167-6172 (1999)

Kinetic Study of Ch 3 + Hbr and Ch 3 + Br Reactions by Laser Photolysis Transient Absorption over 1100 Bar Pressure Range
, The Journal of Physical Chemistry A 103(40): 8008-8020 (1999)

Kinetics and a Revised Mechanism for the Autocatalytic Oxidation of Scn - by ClO 2
, The Journal of Physical Chemistry A 103(29): 5732-5741 (1999)

How Rapidly Does the Sh Radical React with N 2 O?
, The Journal of Physical Chemistry A 103(34): 6778-6785 (1999)

Kinetics of Deuterium Exchange on Resorcinol in D 2 O at High Pressure and High Temperature
, The Journal of Physical Chemistry A 104(1): 53-58 (2000)

Ab Initio/Density Functional Theory and Multichannel Rrkm Calculations for the Ch 3 O + Co Reaction
, The Journal of Physical Chemistry A 103(40): 8021-8029 (1999)

Mass-Independent Oxygen Isotope ( 16 O, 17 O, 18 O) Fractionation Found in H x , O x Reactions
, The Journal of Physical Chemistry A 103(46): 9221-9229 (1999)

Analysis of Tertiary Butyl Radical + O 2 , Isobutene + Ho 2 , Isobutene + Oh, and IsobuteneOh Adducts + O 2 : A Detailed Tertiary Butyl Oxidation Mechanism
, The Journal of Physical Chemistry A 103(48): 9731-9769 (1999)

Determination of the Structure of the 1,2,4,7- a nti -Tetramethyl-2-norbornyl Cation: An Aim Study
, The Journal of Physical Chemistry A 103(33): 6599-6602 (1999)

Molecular and Supramolecular Structures of N -Phenyl Formamide and its Hydrated Clusters
, The Journal of Physical Chemistry A 103(35): 6938-6949 (1999)

Electron Spin Resonance and Molecular Oribtal Study of One-Electron-Reduced O,O -Diphenylenehalonium Cations: First Evidence for a Diaryliodine Radical, Ar 2 I or Simply a New *-Radical?
, The Journal of Physical Chemistry A 103(32): 6351-6359 (1999)

Theoretical Study of Aluminum and Gallium Atom Complexes with Co 2 , Cs 2 , and Cos
, The Journal of Physical Chemistry A 103(34): 6845-6850 (1999)

Variable-Temperature 87 Rb Magic-Angle Spinning Nmr Spectroscopy of Inorganic Rubidium Salts
, The Journal of Physical Chemistry A 103(40): 7958-7971 (1999)

High-Frequency Electron Paramagnetic Resonance Studies of Vo 2+ in Low-Temperature Glasses
, The Journal of Physical Chemistry A 103(51): 11279-11286 (1999)

Esr Signal in Azafullerene (C 59 N) 2 Induced by Thermal Homolysis
, The Journal of Physical Chemistry A 103(35): 6969-6971 (1999)

Indirect Fluorine Coupling Anisotropies in p -Difluorobenzene: Implications to Orientation and Structure Determination of Fluorinated Liquid Crystals
, The Journal of Physical Chemistry A 103(29): 5675-5684 (1999)

Isotope Shifts and Intersystem Crossing for Pentacene in p -Terphenyl. A Model System for Single-Molecule Dynamics
, The Journal of Physical Chemistry A 103(45): 8959-8965 (1999)

Influence of Large Magnetic Fields on Fluorescence of Gaseous Cs 2 Excited through Several V Bands
, The Journal of Physical Chemistry A 103(36): 7179-7185 (1999)

Solvent-Induced Frequency Shifts as a Probe for Studying Very Weak Molecular Complexes: Evidence for van der Waals Complex Formation between Cof 2 and N 2 in Cryogenic Solutions
, The Journal of Physical Chemistry A 103(27): 5291-5300 (1999)

Matrix Isolation and ab Initio Study of the Reactions of Magnesium Atoms and Clusters with Co 2 , C 2 H 4 , and Co 2 /C 2 H 4 Mixtures: Formation of Cyclic Complexes
, The Journal of Physical Chemistry A 103(34): 6721-6725 (1999)

On the Thermodynamic Stability of ArO 4
, The Journal of Physical Chemistry A 103(41): 8295-8302 (1999)

A Temperature- and Composition-Dependent Study of H 2 So 4 Aerosol Optical Constants Using Fourier Transform and Tunable Diode Laser Infrared Spectroscopy
, The Journal of Physical Chemistry A 103(40): 8030-8040 (1999)

Generation and Kinetic Studies of Xe(5d[3/2] 1 ) Resonance State Atoms
, The Journal of Physical Chemistry A 103(42): 8396-8403 (1999)

Kinetics of the Cl( 2 P J ) + Ch 4 Reaction: Effects of Secondary Chemistry below 300 K
, The Journal of Physical Chemistry A 103(37): 7460-7469 (1999)

Characterization of the Reaction Products of Laser-Ablated Late Lanthanide Metal Atoms with Molecular Oxygen: Infrared Spectra of LnO, LnO + , LnO - , LnO 2 , LnO 2 - , LnO 3 - , and (LnO) 2 in Solid Argon
, The Journal of Physical Chemistry A 103(35): 6972-6983 (1999)

Orbital-Based Interpretation of Electron Density Differences in Ne 2 and Polarized Ne and Ne 6+
, The Journal of Physical Chemistry A 103(44): 8870-8874 (1999)

Formation Pathways from 2,4,5-Trichlorophenol (Tcp) to Polychlorinated Dibenzo- p -dioxins (Pcdds): An ab Initio Study
, The Journal of Physical Chemistry A 103(38): 7686-7691 (1999)

Density Functional Characterization of [HclO 2 ] Potential Energy Surface
, The Journal of Physical Chemistry A 103(37): 7515-7521 (1999)

Magnetic Circular Dichroism of C 60 + and C 60 - Radicals in Argon Matrixes
, The Journal of Physical Chemistry A 103(33): 6533-6539 (1999)

Two-Dimensional Penning Ionization Electron Spectroscopy of Nno, Hcno, and Hnnn: Electronic Structure and the Interaction Potential with He*(2 3 S) Metastable and Li(2 2 S) Ground State Atoms
, The Journal of Physical Chemistry A 103(34): 6746-6756 (1999)

Effects of Reduced Coordination Number for Ca on the Electron Redistribution during CaOSi Bridge Bonding from CaO or Ca(Oh) 2 and SiO 2
, The Journal of Physical Chemistry A 103(48): 9842-9846 (1999)

Pathway Studies in Si(2p) Inner-Shell Processes of H 2 Si(Ch 3 ) 2 by Mass Spectrometry and the Photoion Photoion Coincidence Method in the Range 24133 eV
, The Journal of Physical Chemistry A 104(7): 1474-1481 (2000)

Potential Curves for the Mg + Rn Complex Including Charge-Transfer States
, The Journal of Physical Chemistry A 103(44): 8875-8878 (1999)

Vibrational Assignment of All 46 Fundamentals of C 60 and C 60 6- : Scaled Quantum Mechanical Results Performed in Redundant Internal Coordinates and Compared to Experiments
, The Journal of Physical Chemistry A 104(1): 102-112 (2000)

Rate Constants for the Reactions of Oh Radicals with Ch 3 Ocf 2 Chf 2 , Chf 2 Och 2 Cf 2 Chf 2 , Chf 2 Och 2 Cf 2 Cf 3 , and Cf 3 Ch 2 Ocf 2 Chf 2 over the Temperature Range 250430 K
, The Journal of Physical Chemistry A 104(6): 1165-1170 (2000)

P -Terphenyl-Sensitized Photoreduction of Co 2 with Cobalt and Iron Porphyrins. Interaction between Co and Reduced Metalloporphyrins
, The Journal of Physical Chemistry A 103(38): 7742-7748 (1999)

Clustering of Acetic Acid by Association of Hydrogen-Bonded Dimers: Spectroscopic Observation of Multicomponent (Ne)(C 6 H 6 )(Ch 3 Cooh) n Clusters
, The Journal of Physical Chemistry A 103(30): 5847-5851 (1999)

G2(Mp2) Molecular Orbital Study of [H 3 AlXh 3 ] - (X = C, Si, and Ge) and H 3 AlYh 3 (Y = N, P, and As) Complexes
, The Journal of Physical Chemistry A 103(48): 9847-9852 (1999)

On the J -Shift Approximation in Quantum Reaction Dynamics
, The Journal of Physical Chemistry A 103(34): 6715-6720 (1999)

Three Lowest-Lying Electronic States of Nh 2
, The Journal of Physical Chemistry A 103(38): 7701-7708 (1999)

Conformational Composition of Gaseous trans- 1,4-Dichlorocyclohexane. Molecular Structures and Energy Differences of the aa and ee Components from Gas-Phase Electron Diffraction and ab Initio Calculations
, The Journal of Physical Chemistry A 103(38): 7709-7714 (1999)

Ab Initio Study of Ph 2 + O 2 Reaction by Gaussian-2 Theory
, The Journal of Physical Chemistry A 103(40): 8082-8087 (1999)

Product Branching Fractions and Kinetic Isotope Effects for the Reactions of Oh and Od Radicals with Ch 3 Sh and Ch 3 Sd
, The Journal of Physical Chemistry A 103(35): 6921-6929 (1999)

Ab Initio Calculation of 81 Br Nuclear Quadrupole Resonance Transition Frequencies for Brominated Aromatics (Flame Retardants)
, The Journal of Physical Chemistry A 103(40): 8088-8092 (1999)

Intramolecular Hydrogen Bonding and Anomeric Interactions in H n Xch 2 Yh m (Xh n , Yh m = Oh, Nh 2 , Sh, Ph 2 ): A Global Conformational Analysis
, The Journal of Physical Chemistry A 103(43): 8706-8715 (1999)

Density Functional Theory Studies on Vibrational Spectra of Si 2 H 5 X (X = F, Cl, Br) and Their Isotopomers
, The Journal of Physical Chemistry A 103(37): 7437-7444 (1999)

Singlet Oxygen Involvement in the Photochemical Reaction of C 60 and Amines. Synthesis of an Alkyne-Containing Fullerene
, The Journal of Physical Chemistry A 103(36): 7244-7247 (1999)

Spectroscopic Properties of Al 2 P 2 , Al 2 P 2 + , and Al 2 P 2 - and Comparison with Their Ga and In Analogues
, The Journal of Physical Chemistry A 103(45): 9093-9099 (1999)

A Quantum-Chemical Study of the C 2 H 3 F 2 + and C 2 H 3 Cl 2 + Isomers and Their Interconversion. Cbs-Qb3 Proton Affinities of Difluoroethenes and Dichloroethenes
, The Journal of Physical Chemistry A 103(39): 7872-7882 (1999)

Infrared Spectra of CnbO, Cmo - , Omcco, (C 2 )Mo 2 , and M(Co) x ( x = 16) (M = Nb, Ta) in Solid Neon
, The Journal of Physical Chemistry A 103(39): 7785-7794 (1999)

Inversion Motion and S 1 Equilibrium Geometry of 4-Fluoroaniline: Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations
, The Journal of Physical Chemistry A 103(45): 8946-8951 (1999)

Gas-Phase Ni + ( 2 D 5/2 ) + n -C 4 H 10 Reaction Dynamics in Real Time: Experiment and Statistical Modeling Based on Density Functional Theory
, The Journal of Physical Chemistry A 103(36): 7254-7267 (1999)

Incremental Binding Free Energies in Mg 2+ Complexes: A Dft Study
, The Journal of Physical Chemistry A 103(40): 8093-8100 (1999)

Preferential Solvation of Li + in 18.45 Aqueous Ammonia: A Born Oppenheimer ab Initio Quantum Mechanics/Molecular Mechanics Md Simulation
, The Journal of Physical Chemistry A 103(42): 8524-8527 (1999)

Structure and Energetics of the Weakly Bound Nh 3 H 2 O Complex
, The Journal of Physical Chemistry A 103(42): 8528-8536 (1999)

Sigma Bond Activation by Cooperative Interaction with n s 2 Atoms: Al + + n H 2
, The Journal of Physical Chemistry A 103(41): 8309-8316 (1999)

Quantum Wave Packet Study of Nonadiabatic Effects in O( 1 D) + H 2 Oh + H
, The Journal of Physical Chemistry A 103(47): 9448-9459 (1999)

Classical and Inverted Structures of SiX n H 3 - n Li and SiX n H 3 - n Na
, The Journal of Physical Chemistry A 103(42): 8537-8542 (1999)

Partially Formed Bonds In HcnSo 3 and Ch 3 CnSo 3 : A Comparison between Donor Acceptor Complexes of So 3 and Bf 3
, The Journal of Physical Chemistry A 103(37): 7445-7453 (1999)

Temperature-Dependent Rate Constants for the Reactions of Gas-Phase Lanthanides with O 2
, The Journal of Physical Chemistry A 103(36): 7274-7279 (1999)

Observation of Electron Bubbles in para-H 2 D 2 (Hd) Mixtures by High-Resolution Esr Spectroscopy
, The Journal of Physical Chemistry A 103(45): 8966-8968 (1999)

Fourier Transform Ultraviolet Spectroscopy of the A 2 3/2 X 2 3/2 Transition of BrO
, The Journal of Physical Chemistry A 103(45): 8935-8945 (1999 )

Shock-Tube Studies on the Reactions of Cf 2 (X 1 A 1 ) with O( 3 P) and H Atoms
, The Journal of Physical Chemistry A 103(44): 8803-8811 (1999)

Dimer Cations of Cyanoacetylene: Theoretical Isomers and Their Laboratory Production in the Absence and Presence of C 60 2+ . Implications for Interstellar/Circumstellar Chemistry
, The Journal of Physical Chemistry A 103(37): 7528-7534 (1999)

A Theoretical Study of the Low-Lying Excited States of trans - and cis -Urocanic Acid
, The Journal of Physical Chemistry A 103(48): 9864-9871 (1999)

Computational Study of the Mechanisms for the Reaction of O 2 ( 3 g ) with Aromatic Radicals
, The Journal of Physical Chemistry A 103(40): 8108-8117 (1999)

Ab Initio Study of the Reaction of No 3 with the Oh Radical
, The Journal of Physical Chemistry A 103(33): 6673-6677 (1999)

Boron Heat of Formation Revisited: Relativistic Effects on the Bf 3 Atomization Energy
, The Journal of Physical Chemistry A 103(38): 7715-7718 (1999)

Variational Calculations of Rotational Vibrational Energies of Ch 4 and Isotopomers Using an Adjusted ab Initio Potential
, The Journal of Physical Chemistry A 104(11): 2355-2361 (2000)

Site Specific Rotational Mobility of Anhydrous Glucose near the Glass Transition As Studied by 2D Echo Decay 13 C Nmr
, The Journal of Physical Chemistry A 103(42): 8359-8364 (1999)

Theoretical Study of Two-Photon above Threshold Dissociation and Related Processes in Na 2 + and Li 2 +
, The Journal of Physical Chemistry A 103(50): 10691-10698 (1999)

Ab Initio Mo Study of Diverse Si 3 H 3 + Isomers
, The Journal of Physical Chemistry A 103(50): 11034-11039 (1999)

Measurements of Thermal Rate Constants for the Reactions of N( 2 D, 2 P) with C 2 H 4 and C 2 D 4 between 225 and 292 K
, The Journal of Physical Chemistry A 103(43): 8650-8656 (1999)

On the Mechanism of the BrO + Ch 2 O Reaction
, The Journal of Physical Chemistry A 103(42): 8543-8546 (1999)

Distance Dependence of Photoinduced Electron Transfer in Metalloporphyrin Dimers
, The Journal of Physical Chemistry A 103(49): 10540-10552 (1999)

Structure and Reactivity Studies of CoHno + in the Gas Phase
, The Journal of Physical Chemistry A 103(50): 10884-10892 (1999)

Computational Studies of Cobalt-Substituted Aluminophosphates
, The Journal of Physical Chemistry A 104(11): 2423-2431 (2000)

Laser-Induced Fluorescence Excitation Spectra of tert -Butoxy and 2-Butoxy Radicals
, The Journal of Physical Chemistry A 103(41): 8207-8212 (1999)

Kinetics of Metallocarbohedrenes: An Ft-Icr Mass Spectrometry Study of the Association Reactions of Ti 8 C 12 + with Polar and Nonpolar Molecules
, The Journal of Physical Chemistry A 103(45): 9029-9035 (1999)

Driving High Threshold Chemical Reactions by Cluster-Surface Collisions: Molecular Dynamics Simulations for Ch 3 I Clusters
, The Journal of Physical Chemistry A 103(49): 10179-10186 (1999)

Forward Backward Semiclassical Calculation of Spectral Line Shapes: I 2 in a Rare Gas Cluster
, The Journal of Physical Chemistry A 103(47): 9487-9493 (1999 )

Structures, Energetics, and Transition States of the Silicon Phosphorus Compounds Si 2 Ph n ( n = 7, 5, 3, 1). An ab Initio Molecular Orbital Study
, The Journal of Physical Chemistry A 103(42): 8547-8558 (1999)

Probing Solvation and Reaction Coordinates of Ultrafast Photoinduced Electron-Transfer Reactions Using Nonlinear Spectroscopies: Rhodamine 6G in Electron-Donating Solvents
, The Journal of Physical Chemistry A 103(49): 10348-10358 (1999)

Vibrational Spectroscopy and ab Initio Calculations on [N(C 2 F 5 So 2 ) 2 ] - and the Corresponding Superacid Hn(C 2 F 5 So 2 ) 2
, The Journal of Physical Chemistry A 104(5): 954-961 (2000)

P -Quinone Dimers: H-Bonding vs Stacked Interaction. Matrix-Isolation Infrared and ab Initio Study
, The Journal of Physical Chemistry A 103(50): 11052-11059 (1999)

Thermal Isomerizations of 1,1-Dimethyl-2,2- d 2 -cyclopropane
, The Journal of Physical Chemistry A 103(39): 7821-7825 (1999)

An Examination of the Reaction Pathways for the Hooobr and HoobrO Complexes Formed from the Ho 2 + BrO Reaction
, The Journal of Physical Chemistry A 103(40): 8000-8007 (1999)

Low-Temperature Matrix Isolation Studies of Bcl(N 3 ) 2 : Infrared Spectra and Photolysis Processes
, The Journal of Physical Chemistry A 103(48): 9661-9668 (1999)

Successive Change in Conformation Caused by p -Y Groups in 1-(MeSe)-8-( p -Yc 6 H 4 Se)C 10 H 6 : Role of Linear SeSeC Three-Center Four-Electron versus n(Se)n(Se) Two-Center Four-Electron Nonbonded Interactions
, The Journal of Physical Chemistry A 103(48): 9906-9912 (1999)

Structure and [2+2] Cycloreversion of the Cyclobutane Radical Cation
, The Journal of Physical Chemistry A 103(39): 7907-7911 (1999)

Atmospheric Chemistry of Tetrachloroethene (Cl 2 Cccl 2 ): Products of Chlorine Atom Initiated Oxidation
, The Journal of Physical Chemistry A 103(43): 8657-8663 (1999)

Femtosecond Real-Time Probing of Reactions. 24. Time, Velocity, and Orientation Mapping of the Dynamics of Dative Bonding in Bimolecular Electron Transfer Reactions
, The Journal of Physical Chemistry A 103(49): 10093-10117 (1999)

Energy-Preeminent Isomer of the Ca 3 (Po 4 ) 2 Cluster
, The Journal of Physical Chemistry A 103(40): 8118-8120 (1999)

Thermodynamic Properties H f 298 , S 298 , and C p ( T ) for 2-Fluoro-2-Methylpropane, H f 298 of Fluorinated Ethanes, and Group Additivity for Fluoroalkanes
, The Journal of Physical Chemistry A 103(36): 7373-7379 (1999)

The Curiously Stable Cluster and its Neutral and Anionic Counterparts: The Advantages of Planarity
, The Journal of Physical Chemistry A 104(2): 397-403 (2000)

Ultrafast Infrared Studies of the Reaction Mechanism of Silicon Hydrogen Bond Activation by 5 -CpV(Co) 4
, The Journal of Physical Chemistry A 103(49): 10426-10432 (1999)

A Simple Theory of Optimal Coherent Control
, The Journal of Physical Chemistry A 103(49): 10611-10618 (1999)

Electron Transfer to Sf 6 and Oriented Ch 3 Br
, The Journal of Physical Chemistry A 103(49): 10035-10041 (1999)

Energy Relaxation Dynamics of Photofragments Measured by Probe Beam Deflection Technique: Photodissociation of Cf 3 I at 266 nm
, The Journal of Physical Chemistry A 103(42): 8365-8371 (1999)

Three-Body Dissociation Dynamics of Excited States of O 3 (D 2 O)
, The Journal of Physical Chemistry A 103(49): 10237-10243 (1999)

Atmospheric Oxidation of Fluorinated Ethers, E143a (Cf 3 Och 3 ), E134 (Chf 2 Ochf 2 ), and E125 (Chf 2 Ocf 3 )
, The Journal of Physical Chemistry A 103(46): 9230-9240 (1999)

Characterization of Photoionization Intermediates via ab Initio Molecular Dynamics
, The Journal of Physical Chemistry A 104(11): 2333-2340 (2000)

Dynamics of the Reaction O( 3 P) + H 2 S Oh + Sh. 1. Rotational, Doublet, and Fine Structure Distributions in the Oh( v = 1) Product
, The Journal of Physical Chemistry A 103(49): 10644-10650 (1999)

Dynamics of the Reaction O( 3 P) + H 2 S Oh + Sh. 2. State-Resolved Differential Cross Sections and Angular Momentum Correlations
, The Journal of Physical Chemistry A 103(49): 10651-10663 (1999)

Clustering of Charged Adsorbates: Scanning Tunneling Microscopy Observations of Chlorine on Gallium-Rich GaAs(001)- c (82)
, The Journal of Physical Chemistry A 103(49): 10364-10368 (1999)

Synthesis and Ultrafast Study of Cysteine- and Glutathione-Capped Ag 2 S Semiconductor Colloidal Nanoparticles
, The Journal of Physical Chemistry A 103(49): 10194-10201 (1999)

Fluorescence Excitation Spectroscopy of the 3p Rydberg States of 1-Azabicyclo[2.2.2]octane and 1-Azaadamantane
, The Journal of Physical Chemistry A 104(4): 729-734 (2000)

Investigation of Cu 2+ Hydration and the Jahn Teller Effect in Solution by Qm/Mm Monte Carlo Simulations
, The Journal of Physical Chemistry A 103(51): 11387-11393 (1999)

Phase Transitions in Aqueous Nh 4 Hso 4 Solutions
, The Journal of Physical Chemistry A 103(45): 9042-9048 (1999)

Franck Condon Factors as Spectral Probes of Polaron Structure
, The Journal of Physical Chemistry A 103(49): 10417-10425 (1999)

Electronic Structure of the Fluorinated Fullerene C 60 F 48
, The Journal of Physical Chemistry A 103(48): 9921-9924 (1999)

Theoretical Study of the Reaction of S + with C 3 H 2
, The Journal of Physical Chemistry A 103(45): 9125-9131 (1999)

The Structure of the 2-Norbornyl Cation: The -Complex and Beyond ,
, The Journal of Physical Chemistry A 104(10): 2054-2060 (2000)

Hydrogen Bond Types, Binding Energies, and 1 H Nmr Chemical Shifts
, The Journal of Physical Chemistry A 103(40): 8121-8124 (1999)

Ionization Energy of p -Fluoroaniline and Vibrational Levels of p -Fluoroaniline Cation Determined by Mass-Analyzed Threshold Ionization Spectroscopy
, The Journal of Physical Chemistry A 103(43): 8612-8619 (1999)

Kinetic Investigation of the Reactions of Mg( 1 S), Ca( 1 S), and Sr( 1 S) Atoms with No 2 over the Temperature Ranges 303836, 303916, and 303986 K, Respectively
, The Journal of Physical Chemistry A 103(51): 11321-11327 (1999)

Formation of Oh( v =0,1) by the Reaction of Fast H with O 3
, The Journal of Physical Chemistry A 103(39): 7834-7842 (1999)

Measurements of Phase Response in an Oscillatory Reaction and Deduction of Components of the Adjoint Eigenvector
, The Journal of Physical Chemistry A 103(41): 8252-8256 (1999)

193 nm Photodissociation of Thiophene Probed Using Synchrotron Radiation
, The Journal of Physical Chemistry A 103(42): 8351-8358 (1999 )

Classical Trajectory Calculations of Collision Energy Dependence of Partial Penning Ionization Cross Sections for He * (2 3 S) + Ch 3 Cn He + Ch 3 Cn + + e -
, The Journal of Physical Chemistry A 103(48): 9925-9930 (1999)

Experimental and Theoretical Studies of the C 6 H 5 + C 6 H 6 Reaction
, The Journal of Physical Chemistry A 103(45): 9036-9041 (1999)

Femtosecond Multiphoton Ionization Photoelectron Spectroscopy of the S 2 State of Phenol
, The Journal of Physical Chemistry A 103(49): 10470-10476 (1999)

Steepest Descent Path Study of Electron-Transfer Reactions
, The Journal of Physical Chemistry A 103(49): 10571-10579 (1999)

Evidence for Interactions in the S 1 State of Zinc Porphyrin Dimers Revealed by Picosecond Time-Resolved Resonance Raman Spectroscopy
, The Journal of Physical Chemistry A 103(46): 9184-9189 (1999)

Direct Absorption Spectroscopy of Water Clusters
, The Journal of Physical Chemistry A 103(43): 8620-8624 (1999)

The Scalar Relativistic Contribution to the Atomization Energies of Cf, Cf 4 , and SiF 4
, The Journal of Physical Chemistry A 104(11): 2281-2283 (2000)

The Molecular Structure and Ionization Potential of Si 2 : The Role of the Excited States in the Photoionization of Si 2
, The Journal of Physical Chemistry A 104(11): 2326-2332 (2000)

Ab Initio Molecular Orbital Study of the N( 2 D) + Hcn( 1 ) Reaction
, The Journal of Physical Chemistry A 103(46): 9323-9329 (1999)

G2 and G3 Calculations of Enthalpies of Hydrogenation, Isomerization, and Formation of Bi-, Tri-, and Tetracyclic C 7 Hydrocarbons: The Norbornadiene Cycle
, The Journal of Physical Chemistry A 103(43): 8733-8737 (1999)

Quantum Molecular Dynamics Simulations of Low-Temperature High Energy Density Matter: Solid p-H 2 /Li and p-H 2 /B
, The Journal of Physical Chemistry A 103(47): 9512-9520 (1999)

Ab Initio Calculations of Absolute p K a Values in Aqueous Solution Ii. Aliphatic Alcohols, Thiols, and Halogenated Carboxylic Acids
, The Journal of Physical Chemistry A 104(11): 2402-2409 (2000)

Density Functional Theory Based Configuration Interaction Calculations on the Electronic Spectra of Free-Base Porphyrin, Chlorin, Bacteriochlorin, and cis - and trans -Isobacteriochlorin
, The Journal of Physical Chemistry A 104(11): 2504-2507 (2000)

Theoretical Studies of B 2 Li n ( n = 14)
, The Journal of Physical Chemistry A 103(48): 9931-9937 (1999)

Mc/Mo Study of the Electronic Structure and Hyperfine Coupling Constant of the Nitrogen of the (Ch 3 ) 2 No Radical in Hydrogen-Bonding and Non-Hydrogen-Bonding Solvents
, The Journal of Physical Chemistry A 103(45): 9132-9137 (1999)

Photodissociation of N 2 O. I. Ab Initio Potential Energy Surfaces for the Low-Lying Electronic States X 1 A, 2 1 A, and 1 1 A
, The Journal of Physical Chemistry A 103(50): 11089-11095 (1999)

Infrared Spectroscopic Observation of the Stabilized Intermediate Complex Fo 3 Formed by Reaction of Mobile Fluorine Atoms with Ozone Molecules Trapped in an Argon Matrix
, The Journal of Physical Chemistry A 103(40): 7972-7977 (1999)

Quenching Rate Constants of Ncl(a 1 ) at Room Temperature
, The Journal of Physical Chemistry A 104(3): 539-551 (2000)

Structure and Energetics of Vinoxide and the X( 2 A) and A( 2 A) Vinoxy Radicals
, The Journal of Physical Chemistry A 103(46): 9190-9194 (1999)

Oscillations in the Bromomalonic Acid/Bromate System Catalyzed by [Ru(phen) 3 ] 2+
, The Journal of Physical Chemistry A 104(7): 1495-1498 (2000)

Potential Energy Surfaces for LiH 2 and Photochemical Reactions Li*+ H 2 LiH + H
, The Journal of Physical Chemistry A 103(50): 11080-11088 (1999)

Local Geometry Trends and Torsional Sensitivity in N -Formyl- l -alanyl- l -alanine Amide and the Limitations of the Dipeptide Approximation
, The Journal of Physical Chemistry A 103(41): 8337-8345 (1999)

Penning Ionization Electron Spectroscopic and Ab Initio Study of the Interaction and Ionization of Hnco and Hncs with He*(2 3 S) Metastable and Li(2 2 S) Ground State Atoms
, The Journal of Physical Chemistry A 103(46): 9195-9203 (1999)

C 60 as Photosensitizing Electron-Transfer Mediator for Ion-Pair Charge-Transfer Complexes between Borate Anions and Methyl Viologen Dication
, The Journal of Physical Chemistry A 103(48): 9938-9942 (1999)

The Reactions of O( 3 P) with Alkenes: The Formyl Radical Channel
, The Journal of Physical Chemistry A 103(49): 10451-10453 (1999)

Prediction of 195 Pt Nmr Chemical Shifts by Density Functional Theory Computations: The Importance of Magnetic Coupling and Relativistic Effects in Explaining Trends
, The Journal of Physical Chemistry A 103(37): 7535-7543 (1999)

Theoretical Study of Tetramethyl- and Tetra- tert -butyl-Substituted Cyclobutadiene and Tetrahedrane
, The Journal of Physical Chemistry A 104(6): 1246-1255 (2000)

Structure and Nature of the Interaction of the Ch 3 N 2 + Ion Shellvated by H 2 Molecules: Ch 3 N 2 + (H 2 ) n = 1-9
, The Journal of Physical Chemistry A 103(45): 9138-9143 (1999)

Ab Initio Study of Xh 2 + (X = B, Al, and Ga) Isomers
, The Journal of Physical Chemistry A 104(11): 2284-2286 (2000)

Singlet Triplet Splittings in Cx 2 (X = F, Cl, Br, I) Dihalocarbenes via Negative Ion Photoelectron Spectroscopy
, The Journal of Physical Chemistry A 103(41): 8213-8221 (1999)

Generation, Characterization, and Deprotonation of Phenol Radical Cations 1
, The Journal of Physical Chemistry A 103(44): 8834-8839 (1999)

Vibrational Stark Spectroscopy 3. Accurate Benchmark ab Initio and Density Functional Calculations for Co and Cn -
, The Journal of Physical Chemistry A 103(49): 10580-10587 (1999)

Photochemistry of Hnco in Solid Xe: Channels of Uv Photolysis and Creation of H 2 Nco Radicals
, The Journal of Physical Chemistry A 103(45): 9154-9162 (1999)

Velocity of N 2 upon Dissociation of N 2 O in N 2 O(H 2 O) m
, The Journal of Physical Chemistry A 103(50): 10713-10718 (1999)

Classical Dynamics Study of the Unimolecular Decomposition of Ch 3 Sh +
, The Journal of Physical Chemistry A 103(48): 9783-9793 (1999)

Enthalpies of Formation of N -Substituted Pyrazoles and Imidazoles
, The Journal of Physical Chemistry A 103(46): 9336-9344 (1999)

Transition Spectra in the Vibrational Quasicontinuum of Polyatomic Molecules. Ir Multiple-Photon Absorption in Sf 6 . 1. Experimental Studies
, The Journal of Physical Chemistry A 103(51): 11293-11298 (1999)

Transition Spectra in the Vibrational Quasicontinuum of Polyatomic Molecules. Ir Multiple-Photon Absorption in Sf 6 . 2. Theoretical Simulation and Comparison with Experiment
, The Journal of Physical Chemistry A 103(51): 11299-11309 (1999)

Acid Base Chemistry on Crystalline Ice: Hcl + Nh 3
, The Journal of Physical Chemistry A 104(3): 552-556 (2000)

Energy Transfer from N 2 ( v ) to ClN 3 and a Kinetic Model for the Chain Decomposition of Chlorine Azide
, The Journal of Physical Chemistry A 104(28): 6573-6579 (2000)

Characterization of Mo(Co) 6 by 95 Mo Single-Crystal Nmr Spectroscopy
, The Journal of Physical Chemistry A 103(45): 9144-9149 (1999)

Assignment of the B + State of the Chlorobenzene Cation Using Photoinduced Rydberg Ionization (Piri) Spectroscopy
, The Journal of Physical Chemistry A 103(45): 8927-8934 (1999)

Ab Initio Study of Energetics of Protonation and Hydrogen Bonding of Pyridine N -Oxide and Its Derivatives
, The Journal of Physical Chemistry A 103(50): 11104-11108 (1999)

Structure and Spectra of Hocl(H 2 O) n Clusters, n = 14: A Theoretical Calculation
, The Journal of Physical Chemistry A 104(3): 600-609 (2000)

Ab Initio and Kinetic Calculations for the Reactions of Nh(X 3 - ) with Ch x F 4- x and Cd x F 4- x ( x = 1, 2, 3, 4)
, The Journal of Physical Chemistry A 103(45): 9049-9054 (1999)

Thermochemistry of N 3 O 2 -
, The Journal of Physical Chemistry A 103(50): 11109-11114 (1999)

Speed-Dependent Alignment and Angular Distributions of O( 1 D 2 )from the Ultraviolet Photodissociation of N 2 O
, The Journal of Physical Chemistry A 103(49): 10388-10397 (1999)

Optimized Imploding Waves in the Coherent Control of Bimolecular Processes: Atom Rotor Scattering
, The Journal of Physical Chemistry A 103(49): 10333-10342 (1999)

A Tight-Binding Treatment for 13 C Nmr Spectra of Fullerenes
, The Journal of Physical Chemistry A 103(43): 8738-8746 (1999)

Coupled Cluster and Second-Order Mller Plesset Perturbation Studies of the Mechanism of the Gas-Phase Atom Radical Reaction of Atomic Hydrogen with Cf 2 Radical
, The Journal of Physical Chemistry A 104(7): 1499-1504 (2000)

Quantum Control of Molecular Wavepackets: An Approximate Analytic Solution for the Strong-Response Regime
, The Journal of Physical Chemistry A 103(49): 10409-10416 (1999)

H 2 Production in the 440-nm Photodissociation of Glyoxal
, The Journal of Physical Chemistry A 103(49): 10312-10323 (1999)

Pyrene Photochemistry in Solid n -Alkane Matrices: Comparisons with Liquid-Phase Reactions
, The Journal of Physical Chemistry A 103(48): 9794-9804 (1999)

Calculated Vibrational Spectra for Ch n Oh m Species
, The Journal of Physical Chemistry A 104(1): 34-44 (2000)

Absorption Spectra and Optical Constants of Binary and Ternary Solutions of H 2 So 4 , Hno 3 , and H 2 O in the Mid Infrared at Atmospheric Temperatures
, The Journal of Physical Chemistry A 104(4): 783-793 (2000)

Geometry, Vibrational Frequencies, and Ionization Energies of BeX 2 (X = F, Cl, Br, and I)
, The Journal of Physical Chemistry A 104(5): 974-981 (2000)

Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of Ch 2 and the Bond Dissociation Energy of Ch 3 via Simultaneous Solution of the Local Thermochemical Network
, The Journal of Physical Chemistry A 103(43): 8625-8633 (1999)

Characterization of Reaction Pathways on the Potential Energy Surfaces for H + So 2 and Hs + O 2
, The Journal of Physical Chemistry A 103(51): 11328-11335 (1999)

Heats of Formation for GeH n ( n = 14) and Ge 2 H n ( n = 16)
, The Journal of Physical Chemistry A 103(50): 11121-11125 (1999)

Heats of Formation for Po n and Po n H ( n = 13)
, The Journal of Physical Chemistry A 103(50): 11126-11129 (1999)

Cu + in Liquid Ammonia and in Water: Intermolecular Potential Function and Monte Carlo Simulation
, The Journal of Physical Chemistry A 103(50): 11115-11120 (1999)

Infrared Spectral, Structural, and Conformational Studies of Zwitterionic l -Tryptophan
, The Journal of Physical Chemistry A 103(48): 9995-10003 (1999)

Chain Selectivity of Tyrosine Contributions to Hemoglobin Static and Time-Resolved Uvrr Spectra in 13 C Isotopic Hybrids
, The Journal of Physical Chemistry A 104(18): 4149-4154 (2000)

Mode Specificity Study in Unimolecular Dissociation of Nonrotating H 2 O, Dho, and MuHo Molecules
, The Journal of Physical Chemistry A 103(50): 10907-10914 (1999)

Reaction of Ho 2 with ClO: Flow Tube Studies of Kinetics and Product Formation between 215 and 298 K
, The Journal of Physical Chemistry A 104(8): 1674-1685 (2000)

Absolute and Site-Specific Abstraction Rate Coefficients for Reactions of Cl with Ch 3 Ch 2 Oh, Ch 3 Cd 2 Oh, and Cd 3 Ch 2 Oh between 295 and 600 K
, The Journal of Physical Chemistry A 103(48): 9805-9814 (1999)

Formation of Ca + (EtOh) m from Alcohol Solutions of CaCl 2
, The Journal of Physical Chemistry A 104(6): 1079-1084 (2000)

Femtosecond Dynamics of Fe(Co) 5 Photodissociation at 267 nm Studied by Transient Ionization
, The Journal of Physical Chemistry A 104(10): 1997-2006 (2000)

Vibronic Coupling through the In-Phase, Cc Stretching Mode Plays a Major Role in the 2A g - to 1A g - Internal Conversion of all - trans --Carotene
, The Journal of Physical Chemistry A 104(18): 4155-4166 (2000)

Ab Initio Study of the Ne( 1 S)Cn( 2 + ) van der Waals Complex
, The Journal of Physical Chemistry A 104(1): 96-101 (2000)

A Valence Bond Study of the Bonding in First Row Transition Metal Hydride Cations: What Energetic Role Does Covalency Play?
, The Journal of Physical Chemistry A 104(6): 1262-1270 (2000)

Photophysical Properties of Pseudo-Dihydro Derivatives of C 70
, The Journal of Physical Chemistry A 103(41): 8173-8178 (1999)

High-Level ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics: No 2 and Hono Elimination from Dimethylnitramine
, The Journal of Physical Chemistry A 103(44): 8840-8846 (1999)

Direct Observation of Spin Forbidden Proton-Transfer Reactions: 3 No - + Ha 1 Hno + A -
, The Journal of Physical Chemistry A 104(9): 1795-1798 (2000)

Isolation and Characterization by 13 C Nmr Spectroscopy of [84]Fullerene Minor Isomers
, The Journal of Physical Chemistry A 103(44): 8747-8752 (1999)

Quantum Dynamical Simulation of the Energy Relaxation Rate of the Cn - Ion in Water
, The Journal of Physical Chemistry A 103(49): 10289-10293 (1999)

On the Vertical and Adiabatic Excitation Energies of the 2 1 A g State of trans -1,3-Butadiene
, The Journal of Physical Chemistry A 104(11): 2294-2300 (2000)

Theoretical Study of [Na(H 2 O) n ] - ( n = 14) Clusters: Geometries, Vertical Detachment Energies, and Ir Spectra
, The Journal of Physical Chemistry A 104(15): 3299-3307 (2000)

P -Phenylbisphosphinidene and Its Carbene and Nitrene Analogues: An ab Initio Study
, The Journal of Physical Chemistry A 104(17): 4022-4029 (2000)

Controlling the Femtochemistry of Fe(Co) 5
, The Journal of Physical Chemistry A 103(49): 10381-10387 (1999)

Thermodynamics of Formation of the Triple Helix from Free Chains and from Template-Constrained Chains of Collagen-like Monodisperse Poly(Gly-Pro-Hyp) Structures
, The Journal of Physical Chemistry A 103(49): 10561-10566 (1999)

Ab I nitio Characterization of the Hco x ( x = 1, 0, +1) Species: Structures, Vibrational Frequencies, Ch Bond Dissociation Energies, and Hco Ionization Potential and Electron Affinity
, The Journal of Physical Chemistry A 104(11): 2287-2293 (2000)

Ab Initio Study of Coupled Electron Transfer/Proton Transfer in Cytochrome c Oxidase
, The Journal of Physical Chemistry A 104(11): 2367-2374 (2000)

Photophysical and Electron Transfer Properties of C 60 (C 6 H 5 ) 5 Oh and C 60 (C 6 H 4 F) 5 Oh: A Laser Flash Photolysis and Pulse Radiolysis Study
, The Journal of Physical Chemistry A 103(50): 11227-11236 (1999)

Unimolecular Reaction Rate Constants of No 2 Just above D 0
, The Journal of Physical Chemistry A 103(49): 10268-10273 (1999)

Vibrational Circular Dichroism, Predominant Conformations, and Hydrogen Bonding in ( S )-()-3-Butyn-2-ol
, The Journal of Physical Chemistry A 104(9): 1822-1826 (2000)

C 6 F 6 and sym-C 6 F 3 H 3 : Ab Initio and Dft Studies of Structure, Vibrations, and Inelastic Neutron Scattering Spectra
, The Journal of Physical Chemistry A 104(5): 982-989 (2000)

Isomerism and Novel Magnetic Order in Mn 13 Cluster
, The Journal of Physical Chemistry A 103(48): 9853-9856 (1999)

Theoretical Interpretation of the Photoelectron Spectra of Al 3 O 2 - and Al 3 O 3 -
, The Journal of Physical Chemistry A 103(45): 8985-8993 (1999)

Electronic and Geometrical Structure of the Sc[Bo] + Cation. An Ab Initio Investigation
, The Journal of Physical Chemistry A 103(46): 9359-9363 (1999)

Binding Energies and Structures of NaI(Ch 3 Cn) n =1-9 Clusters: Theoretical Study of the Contact Ion Pair versus the Solvent-Separated Ion Pair Structures in a Molecular Cluster
, The Journal of Physical Chemistry A 104(22): 5204-5212 (2000)

Molecular Dynamics Simulations of Carbon Monoxide Dissociation from Heme a 3 in Cytochrome c Oxidase from Paracoccus D enitrificans
, The Journal of Physical Chemistry A 103(49): 10132-10137 (1999)

Vibrational Dynamics of the I 3 Radical: A Semiempirical Potential Surface, and Semiclassical Calculation of the Anion Photoelectron Spectrum
, The Journal of Physical Chemistry A 103(47): 9552-9563 (1999)

Solvation of Cu 2+ in Water and Ammonia. Insight from Static and Dynamical Density Functional Theory
, The Journal of Physical Chemistry A 103(48): 9693-9701 (1999)

Low-Wavenumber Vibrational Dynamics of Liquid Formamide and N -Methylformamide: Molecular Dynamics and Instantaneous Normal Mode Analysis
, The Journal of Physical Chemistry A 104(18): 4174-4181 (2000)

Formation of Neutral C 7 H 2 Isomers from Four Isomeric C 7 H 2 Radical Anion Precursors in the Gas Phase
, The Journal of Physical Chemistry A 104(1): 77-85 (2000)

Experimental Verification of Theoretically Calculated Transition Barriers of the Reactions in a Gaseous Selective Oxidation of Ch 4 O 2 No 2
, The Journal of Physical Chemistry A 104(12): 2648-2654 (2000)

Infrared Evidence for the Existence of the (Hcl)*(H 2 So 4 ) Complex Trapped in Argon at 5 K
, The Journal of Physical Chemistry A 104(16): 3441-3445 (2000)

Intramolecular Donor Acceptor Interactions in Jet-Cooled Bichromophoric Molecules: Comparison between SiMe 2 and Cme 2 Spacers
, The Journal of Physical Chemistry A 104(7): 1377-1387 (2000)

Discovery of Novel Bromate Sulfite pH Oscillators with Mn 2+ or MnO 4 - as a Negative-Feedback Species
, The Journal of Physical Chemistry A 103(50): 10915-10920 (1999)

Guest Molecular Motion of [N(Ch 3 ) 4 ][Cd 3 (Cn) 7 ] Benzene, Toluene, and Ethylbenzene Clathrates As Studied by 2 H Nmr
, The Journal of Physical Chemistry A 104(12): 2591-2598 (2000)

Pyramidal Structures of LanthanideC 60 Clusters (Ln n (C 60 ) m : Ln = Eu and Ho)
, The Journal of Physical Chemistry A 103(45): 8909-8914 (1999)

The Six-Membered Intramolecular Hydrogen Bond Position as a Switch for Inducing an Excited State Intramolecular Proton Transfer (Esipt) in Esters of o -Hydroxynaphthoic Acids
, The Journal of Physical Chemistry A 103(50): 10921-10934 (1999)

Product Identification and Kinetics of Reactions of Hcl with Hno 3 /H 2 So 4 /H 2 O Solutions
, The Journal of Physical Chemistry A 104(19): 4449-4457 (2000)

A Novel Application of para H 2 : the Reversible Addition/Elimination of H 2 at a Ru 3 Cluster Revealed by the Enhanced Nmr Emission Resonance from Molecular Hydrogen
, The Journal of Physical Chemistry A 103(48): 9702-9705 (1999)

Initial Reactions in Chemical Vapor Deposition of Ta 2 O 5 from TaCl 5 and H 2 O. An Ab Initio Study
, The Journal of Physical Chemistry A 104(6): 1186-1195 (2000)

Spectroscopic and Kinetic Study of the ClS(Ch 3 ) 2 Adduct
, The Journal of Physical Chemistry A 103(50): 10935-10944 (1999)

Density Measurements on C 12 E j Nonionic Micellar Solutions as a Function of the Head Group Degree of Polymerization ( j = 58)
, The Journal of Physical Chemistry A 104(48): 11451-11458 (2000)

Calculation of Substituent Effects on p K a Values for Pyrone and Dihydropyrone Inhibitors of Hiv-1 Protease
, The Journal of Physical Chemistry A 104(4): 866-872 (2000)

Fluorinated Organosilicon Cations: A Comparison of Potential Energy Surfaces for SiC 2 X n + where X Is H or F and n = 1, 3, and 5
, The Journal of Physical Chemistry A 103(50): 11161-11171 (1999)

Slow Heterogeneous Charge Transfer Kinetics for the ClO 2 - /ClO 2 Redox Couple at Platinum, Gold, and Carbon Electrodes. Evidence for Nonadiabatic Electron Transfer
, The Journal of Physical Chemistry A 103(49): 10461-10469 (1999)

A First-Principles Study of the Structure and Dynamics of C 8 H 8 , Si 8 H 8 , and Ge 8 H 8 Molecules
, The Journal of Physical Chemistry A 104(12): 2724-2728 (2000)

Spur Decay of the Solvated Electron in Picosecond Radiolysis Measured with Time-Correlated Absorption Spectroscopy
, The Journal of Physical Chemistry A 104(8): 1686-1691 (2000)

Photoelectron Spectroscopy and Theoretical Calculations of So 4 - and Hso 4 - : Confirmation of High Electron Affinities of So 4 and Hso 4
, The Journal of Physical Chemistry A 104(3): 504-508 (2000)

Characterization of the Reaction Products of Laser-Ablated Lanthanide Metal Atoms with Nitric Oxide. Infrared Spectra of the NlnO Molecules in Solid Argon
, The Journal of Physical Chemistry A 104(16): 3446-3456 (2000)

Luminescence of N -Arylbenzamides in Low-Temperature Glasses
, The Journal of Physical Chemistry A 103(48): 9678-9686 (1999)

Photodecomposition of MnO 4 - : A Theoretical Study
, The Journal of Physical Chemistry A 103(50): 10819-10824 (1999)

Photoisomerization of trans -Stilbene in Moderately Compressed Gases: Pressure-Dependent Effective Barriers
, The Journal of Physical Chemistry A 103(49): 10528-10539 (1999)

Temperature Dependence of the Ho 2 + ClO Reaction. 1. Reaction Kinetics by Pulsed Photolysis-Ultraviolet Absorption and ab Initio Studies of the Potential Surface
, The Journal of Physical Chemistry A 104(2): 308-319 (2000)

Time-Resolved Raman Study of the Oxidation Mechanism of Aromatic Diamines by Oh Radical in Water
, The Journal of Physical Chemistry A 103(45): 9055-9060 (1999)

Picosecond Time-Resolved Raman Study of trans -Azobenzene
, The Journal of Physical Chemistry A 104(18): 4203-4210 (2000)

Picosecond Time-Resolved Infrared Absorption Studies on the Photoexcited States of Poly( p -phenylenevinylene)
, The Journal of Physical Chemistry A 104(18): 4198-4202 (2000)

31 P and 23 Na Solid-State Nmr Studies of Cation Dynamics in Ht-Sodium Orthophosphate and the Solid Solutions (Na 2 So 4 ) x (Na 3 Po 4 ) 1 - x
, The Journal of Physical Chemistry A 103(50): 10764-10775 (1999)

Pathways for the Reaction of the Butadiene Radical Cation, [C 4 H 6 ] + , with Ethylene
, The Journal of Physical Chemistry A 103(44): 8895-8905 (1999)

Ultrafast Dynamics in the Metal-to-Ligand Charge Transfer Excited-State Evolution of [Ru(4,4-diphenyl-2,2-bipyridine) 3 ] 2+
, The Journal of Physical Chemistry A 103(42): 8440-8446 (1999)

Solution Electron Affinity Perturbation Due to the Deuteration of [16]Annulene
, The Journal of Physical Chemistry A 103(42): 8566-8572 (1999)

Dynamics of the Oh + Cl 2 Hocl + Cl Reaction: Ab Initio Investigation and Quasiclassical Trajectory Calculations of Reaction Selectivity
, The Journal of Physical Chemistry A 104(3): 626-634 (2000)

The Potential Energy Surface and Ro-Vibrational States of HeCh +
, The Journal of Physical Chemistry A 104(6): 1271-1277 (2000)

Structure and Properties of p -Aminophenoxyl Radical
, The Journal of Physical Chemistry A 103(50): 11181-11187 (1999)

Ultraviolet Photoelectron Spectroscopy of o -, m -, and p -Halobenzyl Anions
, The Journal of Physical Chemistry A 103(50): 10833-10841 (1999)

Ab Initio Investigation of the LiHe X 2 + , A 2 , and B 2 + States: A Basis Set Study
, The Journal of Physical Chemistry A 104(2): 408-412 (2000)

Ab Initio Mechanism and Multichannel RrkmTst Rate Constant for the Reaction of Cl( 2 P) with Ch 2 Co (Ketene)
, The Journal of Physical Chemistry A 104(2): 320-328 (2000)

Attack and Recoil Angle Dependence of the Li + Hf LiF + H Reaction at J = 0
, The Journal of Physical Chemistry A 103(50): 10776-10782 (1999)

Photochemical Reactions of Oxygen Atoms with Toluene, m -Xylene, p -Xylene, and Mesitylene: An Infrared Matrix Isolation Investigation
, The Journal of Physical Chemistry A 104(17): 4108-4114 (2000)

A Density Functional Study of the H 2 OHoco Complex
, The Journal of Physical Chemistry A 104(2): 404-407 (2000)

Theoretical Considerations in the Nh 2 + No Reaction
, The Journal of Physical Chemistry A 104(10): 2061-2069 (2000)

Strong S 1 S 2 Vibronic Coupling and Enhanced Third Order Hyperpolarizability in the First Excited Singlet State of Diphenylhexatriene Studied by Time-Resolved Cars
, The Journal of Physical Chemistry A 104(18): 4211-4217 (2000)

Photophysical Studies of 1,2-C 70 H 2
, The Journal of Physical Chemistry A 103(50): 10842-10845 (1999)

Effects of Trimethylpyridine Addition on forward and backward Electron Transfer between Triplet States of C 60 /C 70 and 2-Naphthols
, The Journal of Physical Chemistry A 104(6): 1196-1200 (2000)

Hydrogen Bonding in 2-Propanol. The Effect of Fluorination
, The Journal of Physical Chemistry A 104(2): 265-274 (2000)

Charged Species in the Radiolysis of Supercritical Co 2
, The Journal of Physical Chemistry A 104(3): 568-576 (2000)

Quantum-Admixture Model of High-Spin Low-Spin Transition for Fe(Iii) Complex Molecules
, The Journal of Physical Chemistry A 104(31): 7308-7313 (2000)

A Unique Method for Laboratory Quantification of Gaseous Nitrous Acid (Hono) Using the Reaction Hono + Hcl ClNo + H 2 O
, The Journal of Physical Chemistry A 104(2): 329-335 (2000)

Tempo-C 61 : An Unusual Example of Fulleroid to Methanofullerene Conversion
, The Journal of Physical Chemistry A 104(1): 156-163 (2000)

Complexation of Li + and Cu + with Hx (X = F, Cl, Oh, Sh, Nh 2 , and Ph 2 ) Molecules by B3Lyp and Ccsd(T) Methods
, The Journal of Physical Chemistry A 104(1): 138-144 (2000)

Generalized Simulated Annealing Studies on Structures and Properties of Ni n ( n = 2 55) Clusters
, The Journal of Physical Chemistry A 104(12): 2746-2751 (2000)

Electronic Spectra of the Carbon Chain Anions C 2 n - 1 H - ( n = 58) in the Gas Phase
, The Journal of Physical Chemistry A 103(48): 9712-9716 (1999)

Heterogeneous Interactions of No 2 with Aqueous Surfaces
, The Journal of Physical Chemistry A 104(12): 2655-2662 (2000)

Bond Rupture in the Radiolysis of n -Alkanes: An Application of Gel Permeation Chromatography to Studies of Radical Scavenging by Iodine
, The Journal of Physical Chemistry A 104(6): 1346-1358 (2000)

The Rates and Mechanisms of Water Exchange of Actinide Aqua Ions: A Variable Temperature 17 O Nmr Study of U(H 2 O) 10 4+ , Uf(H 2 O) 9 3+ , and Th(H 2 O) 10 4+
, The Journal of Physical Chemistry A 104(6): 1201-1206 (2000)

Density Functional Calculations of g -Tensors of Low-Spin Iron(I) and Iron(Iii) Porphyrins
, The Journal of Physical Chemistry A 104(10): 2070-2077 (2000)

Sequential Mechanism of Methane Dehydrogenation over Metal (Mo or W) Oxide and Carbide Catalysts
, The Journal of Physical Chemistry A 104(19): 4505-4513 (2000)

Ab Initio Reaction Energetics of Phosgene Decomposition by Zn 2+ and Ni Atoms: Implications for Gas Mask Filters
, The Journal of Physical Chemistry A 104(11): 2248-2252 (2000)

Anionic Oligomerization of Acrylonitrile Molecules Initiated by Intracluster Electron Transfer from Alkali Metal Atoms: Photoionization Mass Spectrometry of M(Ch 2 Chcn) n (M = Li, Na, and K)
, The Journal of Physical Chemistry A 104(4): 765-770 (2000)

Kinetic Study of the Reactions of Chlorine Atoms and Cl 2 - Radical Anions in Aqueous Solutions. 1. Reaction with Benzene
, The Journal of Physical Chemistry A 104(14): 3117-3125 (2000)

Chemically Accurate ab Initio Potential Energy Surfaces for the Lowest 3 A and 3 A Electronically Adiabatic States of O( 3 P) + H 2
, The Journal of Physical Chemistry A 104(11): 2308-2325 (2000)

Redox Chemistry of Gaseous Reactants Inside Photoexcited FeAlPo 4 Molecular Sieve
, The Journal of Physical Chemistry A 104(3): 490-496 (2000)

Electronic Structure Study of the N 2 O Isomers Using Post-Hartree Fock and Density Functional Theory Calculations
, The Journal of Physical Chemistry A 104(6): 1304-1310 (2000)

Lowest Electronic Excited States of Poly( p ara -cyclobutadienylenecyclopentadienylcobalt)butadiynylene
, The Journal of Physical Chemistry A 104(25): 5937-5941 (2000)

Infrared Spectra and Density Functional Calculations of Mo 2 , Mo 3 , (O 2 )Mo 2 , Mo 4 , Mo 2 - (M = Re, Ru, Os) and ReO 3 - , ReO 4 - in Solid Neon and Argon
, The Journal of Physical Chemistry A 104(16): 3457-3465 (2000)

Transition State Dynamics of Ar n (ClHcl) ( n = 0 5): Effects of Complex Formation on the Dynamics and Spectroscopy
, The Journal of Physical Chemistry A 104(3): 644-651 (2000)

Collision-Induced Dissociation and Theoretical Studies of Mg + Complexes with Co, Co 2 , Nh 3 , Ch 4 , Ch 3 Oh, and C 6 H 6
, The Journal of Physical Chemistry A 104(4): 692-705 (2000)

Characterization of the Reaction Products of Laser-Ablated Lanthanide Metal Atoms with Molecular Hydrogen. Infrared Spectra of LnH, LnH 2 , LnH 3 , and LnH 4 Molecules in Solid Argon
, The Journal of Physical Chemistry A 104(8): 1640-1647 (2000)

The Radical Cation and Lowest Rydberg States of 1,4-Diaza[2.2.2]bicyclooctane (Dabco)
, The Journal of Physical Chemistry A 104(9): 1834-1841 (2000)

Structural and Conformational Studies of N , N -Dichloroethanamine and N , N -Dichloro-2-propanamine by Gas Electron Diffraction Combined with ab Initio Calculations
, The Journal of Physical Chemistry A 104(6): 1311-1318 (2000)

A Stable Ketene Pyridine Prereactive Intermediate: Experimental and Theoretical Identifications of the C 3 O 2 Pyridine Complex
, The Journal of Physical Chemistry A 104(16): 3466-3471 (2000)

Carbon-13 Shift Tensors in Polycyclic Aromatic Compounds. 8. 1 A Low-Temperature Nmr Study of Coronene and Corannulene
, The Journal of Physical Chemistry A 104(1): 149-155 (2000)

Direct Ab Initio Dynamics Study on a Gas Phase Microsolvated S N 2 Reaction of F - (H 2 O) with Ch 3 Cl
, The Journal of Physical Chemistry A 104(3): 497-503 (2000)

Electronic States of Al 3 As 2 , Al 3 As 2 - , Al 3 As 2 + , Al 2 As 3 , Al 2 As 3 - , and Al 2 As 3 +
, The Journal of Physical Chemistry A 104(2): 422-432 (2000)

Novel Rare Gas Ions Bxe + , Bkr + , and Bar + Formed in a Halogen/Rare Gas Exchange Reaction
, The Journal of Physical Chemistry A 103(48): 9565-9568 (1999)

Decomposition and Isomerization of the Ch 3 ChclO Radical: ab Initio and Rrkm Study
, The Journal of Physical Chemistry A 104(7): 1570-1575 (2000)

Kinetic Analysis for Ho 2 Addition to Ethylene, Propene, and Isobutene, and Thermochemical Parameters of Alkyl Hydroperoxides and Hydroperoxide Alkyl Radicals
, The Journal of Physical Chemistry A 104(21): 4997-5012 (2000)

Ice Formation in (Nh 4 ) 2 So 4 H 2 O Particles
, The Journal of Physical Chemistry A 104(3): 584-588 (2000)

Pressure Shift Mechanisms of Spectral Holes in the Optical Spectra of Dyes in Polymer Host Matrices 1
, The Journal of Physical Chemistry A 104(17): 3869-3877 (2000)

An Accurate Description of the Bergman Reaction Using Restricted and Unrestricted Dft: Stability Test, Spin Density, and On-Top Pair Density
, The Journal of Physical Chemistry A 104(8): 1748-1761 (2000)

Matrix Isolation Investigation of the Interaction of SiH 4 with Nh 3 and (Ch 3 ) 3 N
, The Journal of Physical Chemistry A 104(16): 3481-3486 (2000)

Infrared Spectrum of Matrix-Isolated Co and Co Photoproduct from Ocs Photolysis
, The Journal of Physical Chemistry A 104(16): 3472-3480 (2000)

Ab Initio Calculations on Reactions of Chf 3 with Its Fragments
, The Journal of Physical Chemistry A 104(12): 2729-2733 (2000)

Infrared Observations of the Response of NaCl, MgCl 2 , Nh 4 Hso 4 , and Nh 4 No 3 Aerosols to Changes in Relative Humidity from 298 to 238 K
, The Journal of Physical Chemistry A 104(10): 2038-2047 (2000)

Mechanism of the Reaction of Ch 3 So with No 2 in Relation to Atmospheric Oxidation of Dimethyl Sulfide: Experimental and Theoretical Study
, The Journal of Physical Chemistry A 104(5): 935-946 (2000)

Collisional Energy Transfer of No D 2 + ( v = 0) and A 2 + ( v = 4) by O 2 , N 2 , Ar, and No
, The Journal of Physical Chemistry A 104(12): 2567-2572 (2000)

Structures of Furanosides: A Study of the Conformational Space of Methyl - d -Lyxofuranoside by Density Functional Methods
, The Journal of Physical Chemistry A 104(22): 5291-5297 (2000)

Isomerization and Fragmentation Products of Ch 2 Cl 2 and Other Dihalomethanes in Rare-Gas Matrices: An Electron Bombardment Matrix-Isolation Ftir Spectroscopic Study
, The Journal of Physical Chemistry A 104(16): 3487-3497 (2000)

Kinetics of Cl Atom Reactions with C 2 H 5 Cl and C 2 H 4 Cl Radical and the Disproportionation of 2C 2 H 4 Cl at 298 K and at Millitorr Pressures
, The Journal of Physical Chemistry A 104(23): 5503-5510 (2000)

Conversion of So 2 to So 3 by In Situ Photolysis of So 2 and O 3 Mixtures Isolated in Argon Matrixes: Isotopic Effects
, The Journal of Physical Chemistry A 104(16): 3498-3507 (2000)

Enhancement of N 2 O 4 on Porous Glass at Room Temperature: A Key Intermediate in the Heterogeneous Hydrolysis of No 2 ?
, The Journal of Physical Chemistry A 104(2): 171-175 (2000)

The r e Structure of Cyclopropane
, The Journal of Physical Chemistry A 104(6): 1319-1324 (2000)

Ground and Triplet Excited Structures and Spectroscopic Properties of Halogenated Zinc m eso -Tetraphenylporphyrin
, The Journal of Physical Chemistry A 103(46): 9378-9382 (1999)

H 2 Cracking at SiO 2 Defect Centers
, The Journal of Physical Chemistry A 104(20): 4674-4684 (2000)

Remarkably Simple Relationship Connecting the Calculated Geometries of Isomolecular States of Three Different Multiplicities
, The Journal of Physical Chemistry A 104(11): 2195-2203 (2000)

Exploration of the Mechanism of the Activation of ClOno 2 by Hcl in Small Water Clusters Using Electronic Structure Methods
, The Journal of Physical Chemistry A 104(17): 4030-4044 (2000)

Ionization Bands and Electron Affinities of Mixed Boron Nitrogen B n N n Clusters ( n = 3,4,5)
, The Journal of Physical Chemistry A 104(7): 1588-1596 (2000)

Resonant Raman, Hot, and Cold Luminescence of Iodine in Rare Gas Matrixes
, The Journal of Physical Chemistry A 104(16): 3508-3520 (2000)

Penning Ionization of (Nh 2 ) 2 Cx (X = O, S) with He*(2 3 S) Metastable Atoms. Difference of Anisotropic Interaction around N, O, and S Atoms
, The Journal of Physical Chemistry A 104(7): 1393-1399 (2000)

The Heat of Formation of 2-C 3 H 7 + and Proton Affinity of C 3 H 6 Determined by Pulsed Field Ionization Photoelectron Photoion Coincidence Spectroscopy
, The Journal of Physical Chemistry A 104(9): 1959-1964 (2000)

The Reaction of C 6 H 5 with Co: Kinetic Measurement and Theoretical Correlation with the Reverse Process
, The Journal of Physical Chemistry A 104(6): 1233-1239 (2000)

Laser-Induced Phosphorescence of So 2 in Solid Neon: Direct Observation of the b 3 A 2 State in the 16 Os 18 O Molecule
, The Journal of Physical Chemistry A 104(4): 771-776 (2000)

Ab Initio Investigation of Xch 2 Ch 2 and Xchch 3 Radicals (X = F, Cl, Br)
, The Journal of Physical Chemistry A 104(5): 1030-1038 (2000)

Rotationally Resolved Spectra of Isovalent NbCr and Vcr
, The Journal of Physical Chemistry A 104(16): 3521-3527 (2000)

Picosecond Time-Resolved Fluorescence Spectroscopy of ( Z )-1-(2-Anthryl)-2-phenylethene and Its Model Compounds: Understanding the Photochemistry by Distinguishing between the s -cis and s -trans Rotamers
, The Journal of Physical Chemistry A 104(30): 6993-7001 (2000)

Photoelectron Spectroscopy and Circular Dichroism in Chiral Biomolecules: l -Alanine
, The Journal of Physical Chemistry A 104(5): 878-882 (2000)

Matrix Isolation and Density Functional Study of the Reaction of Ovcl 3 with Ch 3 Oh: Synthesis and Characterization of Cl 2 V(O)Och 3
, The Journal of Physical Chemistry A 103(51): 11474-11480 (1999)

Ab initio Based Configuration Interaction Study of the Electronic States of InP
, The Journal of Physical Chemistry A 104(12): 2764-2771 (2000)

Reactions of Laser-Ablated Fe, Co, and Ni with No: Infrared Spectra and Density Functional Calculations of Mno + and M(No) x (M = Fe, Co, x = 13; M = Ni, x = 1, 2), and M(No) x - (M = Co, Ni; x = 1, 2)
, The Journal of Physical Chemistry A 104(17): 3915-3925 (2000)

Ese Studies of Pristine Paramagnetic Species of C 60 Powder Samples
, The Journal of Physical Chemistry A 104(6): 1162-1164 (2000)

Matrix-Isolation Esr Studies of the Various Isotopomers of the Ch 3 Zn and ZnH Radicals: Comparisons with ab Initio Theoretical Calculations
, The Journal of Physical Chemistry A 104(16): 3528-3536 (2000)

Luminescence and Energy Transfer of [Ru(bpy) 3 ] 2+ , [Cr(ox) 3 ] 3- , and [Os(bpy) 3 ] 2+ in Three-Dimensional Oxalato-Networks
, The Journal of Physical Chemistry A 104(5): 883-893 (2000)

Ab Initio Study of Molecular and Electronic Structures of Early Transition Metal Trihydrides Mh 3 (M = Sc, Ti, V, Fe)
, The Journal of Physical Chemistry A 104(7): 1597-1601 (2000)

Electronic Spectra of the Cyclometalated Complexes M(2-thienylpyridine) 2 with M = Pd, Pt: A Theoretical Study
, The Journal of Physical Chemistry A 104(19): 4374-4382 (2000)

Velocity Relaxation of Fast Hydrogen Atoms by Collisions with Rare Gases, N 2 , O 2 , and N 2 O
, The Journal of Physical Chemistry A 104(7): 1400-1404 (2000)

Photodissociation of Hn 3 at 248 nm and Longer Wavelength: A Casscf Study
, The Journal of Physical Chemistry A 104(17): 4045-4050 (2000)

Solvent Solute Interactions Probed by Picosecond Time-Resolved Fluorescence Spectroscopy: Lifetime and Anisotropy Study of S 1 trans -4,4-Diphenylstilbene
, The Journal of Physical Chemistry A 104(19): 4469-4474 (2000)

Anharmonic Vibrational Spectroscopy of Hydrogen-Bonded Systems Directly Computed from ab Initio Potential Surfaces: (H 2 O) n , n = 2, 3; Cl - (H 2 O) n , n = 1, 2; H + (H 2 O) n , n = 1, 2; H 2 OCh 3 Oh
, The Journal of Physical Chemistry A 104(12): 2772-2779 (2000)

Gaussian-2 and Gaussian-3 Study of the Energetics and Structures of Cl 2 O n and Cl 2 O n + , n = 17
, The Journal of Physical Chemistry A 104(14): 3197-3203 (2000)

Models for Quantum Effects in Electron Transfer: Co(Cp) 2 + |V(Co) 6 -
, The Journal of Physical Chemistry A 104(12): 2668-2680 (2000)

Diaminocarbenes; Calculation of Barriers to Rotation about C c arbene N Bonds, Barriers to Dimerization, Proton Affinities, and 13 C Nmr Shifts
, The Journal of Physical Chemistry A 103(50): 11200-11211 (1999)

Reactions of Laser-Ablated Ga, In, and Tl Atoms with Nitrogen Atoms and Molecules. Infrared Spectra and Density Functional Calculations of GaN, NgaN, NinN, and the M 3 N and Mn 3 Molecules
, The Journal of Physical Chemistry A 104(8): 1648-1655 (2000)

Energy-Resolved Collision-Induced Dissociation of Fe 2 (Co) y + ( y = 19)
, The Journal of Physical Chemistry A 104(7): 1416-1422 (2000)

Gas-Phase Coordination of Mg + , ( c -C 5 H 5 )Mg + , and ( c -C 5 H 5 ) 2 Mg + with Saturated Hydrocarbons
, The Journal of Physical Chemistry A 104(17): 3926-3932 (2000)

An Attempt To Systematize the Vibrational Shifts in Co 2 Monomers and Dimers Trapped in Various Matrices
, The Journal of Physical Chemistry A 104(23): 5451-5456 (2000)

Ferrous Ions as Catalysts for Photochemical Reduction of Co 2 in Homogeneous Solutions
, The Journal of Physical Chemistry A 104(19): 4475-4479 (2000)

Kinetics of the Reactions between Sulfide Radical Cation Complexes, [SS] + and [SN] + , and Superoxide or Carbon Dioxide Radical Anions
, The Journal of Physical Chemistry A 104(6): 1240-1245 (2000)

Reactions of Urea with Cu + in the Gas Phase: An Experimental and Theoretical Study
, The Journal of Physical Chemistry A 104(14): 3132-3141 (2000)

Temperature-Dependent Quenching Rate Constants of Nf(a 1 )
, The Journal of Physical Chemistry A 104(8): 1708-1714 (2000)

The Two Competitive Photodissociation Channels in Cyano Carbonyls (Ncc(O)X, X = Ch 3 , Ch(Ch 3 ) 2 , C(Ch 3 ) 3 , Och 3 ) at 193 nm. A Study by Photofragment Translational Energy Spectroscopy
, The Journal of Physical Chemistry A 104(9): 1920-1929 (2000)

An Am1 Study of the Reaction of Ozone with C 6 0
, The Journal of Physical Chemistry A 104(9): 1915-1919 (2000)

On Electronic Properties of Assemblies of Quantum Nanodots
, The Journal of Physical Chemistry A 104(20): 4739-4747 (2000)

Spectroscopic Characterization of Matrix-Isolated Phenylcarbene and Cycloheptatetraene
, The Journal of Physical Chemistry A 104(16): 3544-3552 (2000)

Temperature-Dependent Magnetic Circular Dichroism of Lutetium Bisphthalocyanine
, The Journal of Physical Chemistry A 104(16): 3537-3543 (2000)

Temperature Dependent Kinetics of the Oh/Ho 2 /O 3 Chain Reaction by Time-Resolved Ir Laser Absorption Spectroscopy
, The Journal of Physical Chemistry A 104(17): 3964-3973 (2000)

Ab Initio Study of Lowest-Energy Conformers of Lewis X (Le x ) Trisaccharide
, The Journal of Physical Chemistry A 104(15): 3381-3390 (2000)

Fragmentation of Vibrationally Selected N 2 O + in State C 2 + from Measurements of Threshold Photoelectron Photoion Coincidence
, The Journal of Physical Chemistry A 104(10): 1991-1996 (2000)

Reactions of Laser-Ablated Aluminum Atoms with Nitrogen Atoms and Molecules. Infrared Spectra and Density Functional Calculations for the AlN 2 , Al 2 N, Al 2 N 2 , AlN 3 , and Al 3 N Molecules
, The Journal of Physical Chemistry A 104(8): 1656-1661 (2000)

Dynamics of H 2 and C 2 H 4 Elimination in the Y + C 2 H 6 Reaction
, The Journal of Physical Chemistry A 104(6): 1107-1116 (2000)

Photodissociation of Nitrosobenzene (C 6 H 5 No) at 266 nm
, The Journal of Physical Chemistry A 104(45): 10079-10084 (2000)

Ultrafast Electronic Relaxation and Hydrogen-Bond-Formation/Dissociation Dynamics of Photoexcited All- trans Retinal in Protic Solvents
, The Journal of Physical Chemistry A 104(18): 4272-4279 (2000)

Simulation of Atomic Cadmium Spectroscopy in Rare Gas Solids Using Pair Potentials
, The Journal of Physical Chemistry A 104(16): 3553-3562 (2000)

Femtosecond Heterodyne-Detected Four-Wave-Mixing Studies of Deterministic Protein Motions. 2. Protein Response
, The Journal of Physical Chemistry A 103(49): 10630-10643 (1999)

A Theoretical Study of the Potential Energy Surface and Rate Constant for an O( 3 P) + Ho 2 Reaction
, The Journal of Physical Chemistry A 104(14): 3204-3210 (2000)

Hyperfine Structure in N via Electron Spin Resonance at 4 K
, The Journal of Physical Chemistry A 104(16): 3563-3565 (2000)

Reactions of Co, Ni, and Cu Atoms with Cs 2 : Infrared Spectra and Density-Functional Calculations of Smcs, M-( 2 -Cs)S, M-Cs 2 , and Mcs 2 + in Solid Argon
, The Journal of Physical Chemistry A 104(19): 4394-4401 (2000)

Kinetics and Thermochemistry of the Oh Radical Reaction with Cf 3 Ccl 2 H and Cf 3 CfclH
, The Journal of Physical Chemistry A 104(21): 5013-5022 (2000)

A New Method of Determining the Nonempirical Potential Functions Application to an Ionic Fragmentation Reaction of tert -butyl Chloride in Aqueous Solution
, The Journal of Physical Chemistry A 104(33): 7840-7846 (2000)

Electronic States and Potential Energy Surfaces of Wc 2
, The Journal of Physical Chemistry A 104(6): 1325-1331 (2000)

Phantom Activation Volumes 1
, The Journal of Physical Chemistry A 104(13): 3057-3063 (2000)

A Computational Review of an Experimental Hint at Unusual Hydrogen Bonding in o -Cresol Cation Radical
, The Journal of Physical Chemistry A 104(22): 5298-5301 (2000)

High-Level ab Initio Calculations of Torsional Potential of Phenol, Anisole, and o -Hydroxyanisole: Effects of Intramolecular Hydrogen Bond
, The Journal of Physical Chemistry A 104(6): 1332-1336 (2000)

Excited-State Dynamics and Photophysical Properties of para -Aminobenzophenone
, The Journal of Physical Chemistry A 104(30): 7002-7009 (2000)

Fast Energy Transfer of Charge Transfer Triplet Excited State ( 3 Ct) of [Ru(bpy) 3 ](Pf 6 ) 2 to Os 2+ at Short Distances in the Crystal
, The Journal of Physical Chemistry A 104(22): 5176-5180 (2000)

Diffusion of H 2 So 4 in Humidified Nitrogen: Hydrated H 2 So 4
, The Journal of Physical Chemistry A 104(8): 1715-1719 (2000)

A Study of the Products of the Reaction of Phosphorus and Dioxygen
, The Journal of Physical Chemistry A 104(16): 3566-3571 (2000)

A Quantum Chemistry Study of the van der Waals Dimers of Benzene, Naphthalene, and Anthracene: Crossed ( D 2 d ) and Parallel-Displaced ( C 2 h ) Dimers of Very Similar Energies in the Linear Polyacenes
, The Journal of Physical Chemistry A 104(13): 2953-2957 (2000)

Theoretical Studies of the Mechanism for the Synthesis of Silsesquioxanes. 2. Cyclosiloxanes ( D 3 and D 4 )
, The Journal of Physical Chemistry A 104(17): 4058-4063 (2000)

Reactions of Laser-Ablated Ni, Pd, and Pt Atoms with Carbon Monoxide: Matrix Infrared Spectra and Density Functional Calculations on M(Co) n ( n = 14), M(Co) n - ( n = 13), and M(Co) n + ( n = 12), (M = Ni, Pd, Pt)
, The Journal of Physical Chemistry A 104(17): 3905-3914 (2000)

Intersystem Crossing and Nonadiabatic Product Channels in the Photodissociation of N 2 O 4 at 193 nm
, The Journal of Physical Chemistry A 104(21): 4825-4832 (2000)

Photofragment Spectroscopy of FeCh 2 + , CoCh 2 + , and NiCh 2 + near the M + Ch 2 Dissociation Threshold
, The Journal of Physical Chemistry A 104(10): 2020-2024 (2000)

13 C-Selective Infrared Multiple Photon Decomposition of -Propiolactone, -Butyrolactone, and Diketene with a Co 2 Tea Laser
, The Journal of Physical Chemistry A 104(12): 2587-2590 (2000)

Identification of Cu 2 (N 2 ) and Cu 2 (N 2 ) 2 Complexes: Matrix Isolation and Density Functional Studies
, The Journal of Physical Chemistry A 104(16): 3572-3578 (2000)

Ultrafast Excited-State Dynamics of Re(Co) 3 Cl(dcbpy) in Solution and on Nanocrystalline TiO 2 and ZrO 2 Thin Films
, The Journal of Physical Chemistry A 104(18): 4291-4299 (2000)

A Novel Way To Design Suitable Inorganic Material from the Smectite Family for Sorption of 2,3,7,8-Tetrachlorinated Dibenzo- p -dioxin
, The Journal of Physical Chemistry A 104(10): 2098-2104 (2000)

Potential Energy Surface of Scl 3 -
, The Journal of Physical Chemistry A 104(13): 2958-2961 (2000)

Infared Stimulated Emission of N 2 O Trapped in Argon Matrices: Comparison with O 3 and Co 2
, The Journal of Physical Chemistry A 104(8): 1670-1673 (2000)

Photochemistry of Hnco in Solid Xenon: Photoinduced and Thermally Activated Formation of HxeNco
, The Journal of Physical Chemistry A 104(16): 3579-3583 (2000)

Complexes of Linear Carbon Clusters with Water
, The Journal of Physical Chemistry A 104(16): 3584-3592 (2000)

Electron Spin Lattice Relaxation Measurement of the 3Fe-4S (S-3) Cluster in Succinate:Ubiquinone Reductase from Paracoccus Denitrificans . A Detailed Analysis Based on a Dipole Dipole Interaction Model
, The Journal of Physical Chemistry A 104(19): 4402-4412 (2000)

Theoretical Study of the Electronic States of AlS, AlS + and AlS -
, The Journal of Physical Chemistry A 104(10): 2105-2111 (2000)

Where Do the Forces in Molecules Come from? A Density Functional Study of N 2 and Hcl
, The Journal of Physical Chemistry A 104(25): 6039-6046 (2000)

Quadricyclane Radical Cation Q + : Formation and Isomerization in Liquid Methylcyclohexane
, The Journal of Physical Chemistry A 104(12): 2634-2640 (2000)

Identification of BrOno as the Major Product in the Gas-Phase Reaction of Br with No 2
, The Journal of Physical Chemistry A 104(10): 2048-2053 (2000)

Theoretical Study on the Adsorption of Nh 3 to Alkali Halide Clusters
, The Journal of Physical Chemistry A 104(29): 6817-6823 (2000)

Photochemically Induced Energy Transfer Ii: Spectroscopic and Photophysical Aspects of the Electronic-to-Electronic Energy Transfer in Geminate van der Waals Complexes
, The Journal of Physical Chemistry A 104(16): 3593-3602 (2000)

Spectroscopic Constants for GaAs 2 - , GaAs 2 , Ga 2 As - , and Ga 2 As
, The Journal of Physical Chemistry A 104(10): 1969-1973 (2000)

Microwave Spectrum, Conformation, Dipole Moment, and Quantum Chemical Calculations of 1-Amino-1-ethenylcyclopropane
, The Journal of Physical Chemistry A 104(13): 2897-2901 (2000)

An Efficient Implementation of the Direct Random-Phase Approximation Using the Quasi-Particle Formalism
, The Journal of Physical Chemistry A 104(20): 4685-4689 (2000)

Electronic Spectrum of the NpO 2 2+ and NpO 2 + Ions
, The Journal of Physical Chemistry A 104(17): 4064-4068 (2000)

Photodissociation of Linear Carbon Clusters C n ( n = 46)
, The Journal of Physical Chemistry A 104(10): 2025-2032 (2000)

Electrogeneration and Characterization of (C 6 H 5 Ch 2 ) 2 C 70
, The Journal of Physical Chemistry A 104(13): 2902-2907 (2000)

Matrix-Isolation and Mass-Spectrometric Studies of the Thermolysis of [Me 2 N(Ch 2 ) 3 ]GaMe 2 . Characterization of the Monomeric Organogallanes Me 2 GaH, MeGaH 2 , and MeGa
, The Journal of Physical Chemistry A 104(16): 3627-3634 (2000)

Production and Infrared Absorption Spectrum of ClSo 2 in Matrices
, The Journal of Physical Chemistry A 104(16): 3613-3619 (2000)

Dispersed Fluorescence Spectroscopy of S 0 Formyl Fluoride Vibrational States
, The Journal of Physical Chemistry A 104(45): 10070-10078 (2000)

Spectroscopy and Dynamics of Al Atoms Solvated in Superfluid Helium Nanodroplets
, The Journal of Physical Chemistry A 104(16): 3620-3626 (2000)

Reactions of H 3 O + (H 2 O) n with Formaldehyde and Acetaldehyde
, The Journal of Physical Chemistry A 104(12): 2706-2709 (2000)

Theoretical Study of the Structure of Zcu(No 2 )(No). A Proposed Intermediate in the No x Decomposition by CuZsm-5
, The Journal of Physical Chemistry A 104(14): 3225-3230 (2000)

1 H and 15 N Dynamic Nuclear Polarization Studies of Carbazole
, The Journal of Physical Chemistry A 104(19): 4413-4420 (2000)

Structure and Nonlinear Optical Properties of Cationic Defects in Amorphous Silicon Dioxide. 1. Cluster Studies
, The Journal of Physical Chemistry A 104(20): 4796-4800 (2000)

Solvent-Induced Two-Photon Absorption of a Push Pull Molecule
, The Journal of Physical Chemistry A 104(20): 4718-4722 (2000)

Hydrogen Cracking in SiO 2 : Kinetics for H 2 Dissociation at Silicon Dangling Bonds
, The Journal of Physical Chemistry A 104(20): 4780-4784 (2000)

Density Functional Theory Study of the Hydrogen-Bonded PyridineH 2 O Complex: A Comparison with Rhf and Mp2 Methods and with Experimental Data
, The Journal of Physical Chemistry A 104(10): 2112-2119 (2000)

Triplet Excited States of Free-Base Porphin and Its -Octahalogenated Derivatives
, The Journal of Physical Chemistry A 104(20): 4748-4754 (2000)

Hydrogen-Transferred Radical Cations of Nadh Model Compounds. 2. Sequential Electron Proton Addition to Nad +
, The Journal of Physical Chemistry A 104(4): 718-723 (2000)

A Parametrized Valence-Bond Study of the Origin of the Long, Weak NN Bond of a sym -N 2 O 3
, The Journal of Physical Chemistry A 104(10): 2138-2143 (2000)

Thermal and Photolytic Reactions of Gallium and Indium Atoms (M) and Their Dimers M 2 with Carbon Monoxide in Low-Temperature Matrices: Formation of Terminal, Bridged, and Ionic Carbonyl Derivatives
, The Journal of Physical Chemistry A 104(16): 3642-3654 (2000)

An Ab Initio Model for Solvent Effects in Organic Molecules
, The Journal of Physical Chemistry A 104(20): 4767-4771 (2000)

Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution
, The Journal of Physical Chemistry A 104(20): 4711-4717 (2000)

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push Pull -Conjugated Systems
, The Journal of Physical Chemistry A 104(20): 4755-4763 (2000)

Ir-Active Matrix-Isolated Molecules (Co and Co 2 ) to Probe Host Crystal (N 2 ) Quality
, The Journal of Physical Chemistry A 104(16): 3698-3711 (2000)

Uv-Photolysis of HiCo 2 Complexes in Solid Parahydrogen: Formation of Co and H 2 O
, The Journal of Physical Chemistry A 104(16): 3635-3641 (2000)

Ground State of 1,6-Bridged [10] Annulenes: Infrared and Raman Spectra and Density Functional Calculations
, The Journal of Physical Chemistry A 104(14): 3110-3116 (2000)

Decay Kinetics of N( 2 P or 2 D) + N 2 (X 1 g + , v ) in Low Temperature Solid Nitrogen
, The Journal of Physical Chemistry A 104(16): 3693-3697 (2000)

Reaction of Nh (X 3 - ) with No in Xenon Matrix: Infrared Detection of the Hnno Intermediate
, The Journal of Physical Chemistry A 104(16): 3681-3692 (2000)

Fourier Transform Infrared Observation of SiC n Chains. Ii. The 1 () Mode of Linear SiC 7 in Ar at 10 K
, The Journal of Physical Chemistry A 104(16): 3712-3717 (2000)

Density Functional Theory Based Model Calculations for Accurate Bond Dissociation Enthalpies. 2. Studies of XX and XY (X, Y = C, N, O, S, Halogen) Bonds
, The Journal of Physical Chemistry A 104(9): 1938-1943 (2000)

Quantum Transition State Theory for the Collinear H + H 2 Reaction
, The Journal of Physical Chemistry A 104(9): 1799-1803 (2000)

High-Resolution Infrared Absorption Spectroscopy of C 60 Molecules and Clusters in Parahydrogen Solids
, The Journal of Physical Chemistry A 104(16): 3733-3742 (2000)

Magnetic Inequivalency, Electron Paramagnetic Resonance, Electronic Structure, Optimal Geometry, and Electronic Spectra of the 4,5-Bis(trifluoromethyl)-1,3,2-dithiazol-2-yl Radical
, The Journal of Physical Chemistry A 104(16): 3718-3732 (2000)

Monte Carlo Statistical Mechanical Simulations of the Competition of Intermolecular Electrostatic and Poling-Field Interactions in Defining Macroscopic Electro-Optic Activity for Organic Chromophore/Polymer Materials
, The Journal of Physical Chemistry A 104(20): 4785-4795 (2000)

The Luminescence Spectra of the 8-Methoxypsoralen Excited-State Complexes and Photochemical Product in Argon, Methanol/Argon, and Water/Argon Matrices at 10 K
, The Journal of Physical Chemistry A 104(16): 3759-3763 (2000)

Optimization of Exciton-Induced Detection of Atoms at Interfaces
, The Journal of Physical Chemistry A 104(16): 3743-3749 (2000)

A Matrix-Isolation Spectroscopic and Theoretical Investigation of Tris(8-hydroxyquinolinato)aluminum(Iii) and Tris(4-methyl-8-hydroxyquinolinato)aluminum(Iii)
, The Journal of Physical Chemistry A 104(16): 3670-3680 (2000)

Matrix Infrared Spectra and ab Initio Calculations of the Nitrous Acid Complexes with Nitrogen Monoxide
, The Journal of Physical Chemistry A 104(16): 3764-3769 (2000)

Infrared Spectrum of p -Hydrogen Crystals Ionized by 3 MeV Electrons: Cluster Ions of Hydrogen in Condensed Phase
, The Journal of Physical Chemistry A 104(16): 3775-3779 (2000)

Neutral Xenon Hydrides in Solid Neon and Their Intrinsic Stability
, The Journal of Physical Chemistry A 104(16): 3770-3774 (2000)

Splitting of Degenerate Orbitals of Dibenzyl and Tetrabenzyl Adducts of C 60 : Esr of the Radical Anions and the Rotation Barriers of Benzyl Groups
, The Journal of Physical Chemistry A 104(13): 2908-2913 (2000)

Theoretical Studies of Carbocations in Ion Pairs. Part 6: The tert -Butyl Cation at Various Interionic Distances 1
, The Journal of Physical Chemistry A 104(9): 1944-1949 (2000)

Ab Initio Molecular Dynamics Shows Low-Frequency Mode Manifolds Mediate Co + Co + Co + + Co Electron Exchange 1
, The Journal of Physical Chemistry A 104(26): 6314-6323 (2000)

2,2-Bithiophene Radical Cation: An Experimental and Computational Study
, The Journal of Physical Chemistry A 104(12): 2808-2823 (2000)

Experimental 1 H Nmr and Computational Studies of Internal Rotation of Solvated Formamide
, The Journal of Physical Chemistry A 104(13): 2985-2993 (2000)

Ultrafast Infrared Spectroscopy of Vibrational States Prepared by Photoinduced Electron Transfer in (Cn) 5 FeCnru(Nh 3 ) 5 -
, The Journal of Physical Chemistry A 104(18): 4314-4320 (2000)

Uv Absorption Spectra of Intermediates Generated via Photolysis of B(N 3 ) 3 , Bcl(N 3 ) 2 , and Bcl 2 (N 3 ) in Low-Temperature Argon Matrices
, The Journal of Physical Chemistry A 104(16): 3780-3785 (2000)

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Ions. 5. Pahs Incorporating a Cyclopentadienyl Ring
, The Journal of Physical Chemistry A 104(16): 3655-3669 (2000)

Molecular Dynamics Simulations of Site Geometries of Anthracene in an Argon Matrix
, The Journal of Physical Chemistry A 104(16): 3786-3791 (2000)

Cobalt Corrin Catalyzed Photoreduction of Co 2
, The Journal of Physical Chemistry A 104(9): 1848-1853 (2000)

Diagnostics and Kinetic Modeling of the Ignition and the Extinction Transients of a Hollow Cathode N 2 O Discharge
, The Journal of Physical Chemistry A 104(17): 3974-3983 (2000)

Hydrolysis of N 2 O 5 on Submicron Sulfuric Acid Aerosols
, The Journal of Physical Chemistry A 104(17): 3984-3990 (2000)

Structures, Vibrational Spectra, and Relative Energetics of Ch 3 BrO 3 Isomers
, The Journal of Physical Chemistry A 104(14): 3239-3245 (2000)

A Picosecond Kinetic Study of Nonadiabatic Proton Transfer within the Contact Radical Ion Pair of Substituted Benzophenones/ N , N -Diethylaniline
, The Journal of Physical Chemistry A 104(21): 4833-4838 (2000)

Total Energy Calculations of RfCl 4 and Homologues in the Framework of Relativistic Density Functional Theory
, The Journal of Physical Chemistry A 104(27): 6495-6498 (2000)

Tautomerization of Nucleobase Model Compounds: The 4-Pyridinol and 4(1 H )-Pyridinone Monomers and Their Dimers
, The Journal of Physical Chemistry A 104(21): 5087-5092 (2000)

Electronic Excitation Spectrum of s -Tetrazine: An Extended-Steom-Ccsd Study
, The Journal of Physical Chemistry A 104(19): 4553-4561 (2000)

Protonated Cyanogen Fluoride. Structure, Stability, and Reactivity of (Fcn)H + Ions
, The Journal of Physical Chemistry A 104(23): 5545-5550 (2000)

Gas-Phase Nuclear Magnetic Resonance Study of Berry Pseudorotation of Sf 4 . Comparison of Experimental and Calculated Kinetic Parameters and Falloff Kinetics
, The Journal of Physical Chemistry A 104(15): 3341-3348 (2000)

Reaction of Oh + No 2 + M: A New View
, The Journal of Physical Chemistry A 104(17): 3991-3997 (2000)

Supersonic Jet Spectroscopy and Intramolecular Electronic Energy Transfer in Naphthalene(Ch 2 ) n Anthracene Bichromophoric Molecules
, The Journal of Physical Chemistry A 104(28): 6558-6565 (2000)

Ab Initio Modeled Matrix Trapping Sites, Pes Asymmetry, and Automerization in the Ar/Cyclobutadiene System
, The Journal of Physical Chemistry A 104(16): 3806-3818 (2000)

Electronic Structure of Bcl Determined by Ab Initio Calculations and Resonance-Enhanced Multiphoton Ionization Spectroscopy
, The Journal of Physical Chemistry A 104(16): 3800-3805 (2000)

Effect of Matrix Electronic Characteristics on Trapping and Degradation of Organic Radical Cations in Solid Rare Gases: A Case Study of Methylal Radical Cation
, The Journal of Physical Chemistry A 104(16): 3792-3799 (2000)

Structural Isomerization and Molecular Motions of Liquid n -Alkanes. Ultrasonic and High-Frequency Shear Viscosity Relaxation
, The Journal of Physical Chemistry A 104(15): 3269-3275 (2000)

Transoid, Ortho, and Gauche Conformers of n- Si 4 Cl 10 : Raman and Mid-Ir Matrix-Isolation Spectra
, The Journal of Physical Chemistry A 104(16): 3829-3841 (2000)

Long-Range Resonance Energy Transfer to [Ru(bpy) 3 ] 2+
, The Journal of Physical Chemistry A 104(13): 2919-2924 (2000)

13 C Nmr Patterns of Odd-Numbered C 119 Fullerenes
, The Journal of Physical Chemistry A 104(17): 3865-3868 (2000)

Calculations for XeO n ( n = 24): Could the Xenon Dioxide Molecule Exist?
, The Journal of Physical Chemistry A 104(16): 3826-3828 (2000)

Alkali Metal Nmr Chemical Shielding as a Probe of Local Structure: An Experimental and Theoretical Study of Rb + in Halide Lattices
, The Journal of Physical Chemistry A 104(5): 908-914 (2000)

Conformers of n -Si 6 Me 14 : Ab Initio, Molecular Mechanics, and Additive Increment Methods
, The Journal of Physical Chemistry A 104(15): 3367-3380 (2000)

Time-Resolved Determination of the Quantum Yield of Singlet Oxygen Formation by Tetraphenylporphine under Conditions of Very Strong Quenching
, The Journal of Physical Chemistry A 104(14): 3177-3180 (2000)

Epr Kinetic Evidence for Radical Intermediacy in the Oxidation of Secondary Amines to Nitrones by [Wo(O 2 ) 2 Ococ 5 H 4 N] - [Bu 4 N + ]
, The Journal of Physical Chemistry A 104(12): 2710-2715 (2000)

(Hyper)polarizabilities of GaN, GaP, and GaAs Clusters: An Ab Initio Time-Dependent Hartree Fock Study
, The Journal of Physical Chemistry A 104(20): 4801-4804 (2000)

Substituent Effect of N , N -Dialkylamides on the Intermolecular Hydrogen Bonding with Thioacetamide
, The Journal of Physical Chemistry A 104(23): 5572-5578 (2000)

Magnetic Coupling Constants and Spin Density Maps for Heterobinuclear Complexes GdCu(Otf) 3 (bdmap) 2 (H 2 O)Thf, [Gd(C 4 H 7 On) 4 (H 2 O) 3 ][Fe(Cn) 6 ]2H 2 O, and [Gd(C 4 H 7 On) 4 (H 2 O) 3 ][Cr(Cn) 6 ]2H 2 O: A Density Functional Study
, The Journal of Physical Chemistry A 104(26): 6295-6300 (2000)

Mbpt and Dft Study of Hydrogen Cyanide Borane(1) Oligomers and Dehydrogenated Analogues
, The Journal of Physical Chemistry A 104(24): 5810-5816 (2000)

Structures, Energetics, and Reactions of [C 2 H 3 S] Radicals and [C 2 H 3 S] + Ions: A Gaussian-2 ab Initio Study
, The Journal of Physical Chemistry A 104(13): 3028-3037 (2000)

Nmr Paramagnetic Relaxation Enhancement: Measurement of an Axial/Equatorial T 1 Ratio for S = 1 in the Zero-Field Splitting Limit
, The Journal of Physical Chemistry A 104(21): 4839-4845 (2000)

Carbon Hydrogen vs Carbon Carbon Protonation in the Proton Transfer from Alkane Radical Cations to Alkane Molecules. A Study in -Irradiated Ccl 3 F/Decane at 77 K
, The Journal of Physical Chemistry A 104(17): 4004-4010 (2000)

Structure and Stability of Boron Nitrides: Isomers of B 12 N 12
, The Journal of Physical Chemistry A 104(15): 3364-3366 (2000)

Ab Initio Gas-Phase Acidities of NaH, MgH 2 , and AlH 3
, The Journal of Physical Chemistry A 104(32): 7580-7585 (2000)

Photoionization Yield vs Energy in H 2 O and D 2 O
, The Journal of Physical Chemistry A 104(15): 3349-3355 (2000)

Effect of Hole Trapping on the Microscopic Structure of Oxygen Vacancy Sites in a -SiO 2
, The Journal of Physical Chemistry A 104(20): 4699-4703 (2000)

Computational Aspects of Interaction Hyperpolarizability Calculations. A Study on H 2 H 2 , NeHf, NeFh, HeHe, NeNe, ArAr, and KrKr
, The Journal of Physical Chemistry A 104(20): 4772-4779 (2000)

Exciton Migration and Cathode Quenching in Organic Light Emitting Diodes
, The Journal of Physical Chemistry A 104(20): 4704-4710 (2000)

An Attempt To Bridge the Gap between Computation and Experiment for Nonlinear Optical Properties: Macroscopic Susceptibilities in Solution
, The Journal of Physical Chemistry A 104(20): 4690-4698 (2000)

Ab Initio Calculation of Homogeneous Outer Sphere Electron Transfer Rates: Application to M(Oh 2 ) 6 3+/2+ Redox Couples
, The Journal of Physical Chemistry A 104(29): 6718-6725 (2000)

Theoretical Study of the Anomeric Effect in Ch 2 ClOh
, The Journal of Physical Chemistry A 104(27): 6499-6504 (2000)

Mechanism and Kinetics of the Reactions of No 2 or Hno 3 with Alumina as a Mineral Dust Model Compound
, The Journal of Physical Chemistry A 104(21): 5036-5045 (2000)

Matrix Isolation and ab Initio Study of the Hydrogen-Bonded Complex between H 2 O 2 and (Ch 3 ) 2 O
, The Journal of Physical Chemistry A 104(10): 2033-2037 (2000)

Nonlinear Optical Properties of Threefold Coordinated Paramagnetic Si Centers: An ab Initio Time-Dependent Hartree Fock Study on SiH 3 Radical
, The Journal of Physical Chemistry A 104(20): 4735-4738 (2000)

Spectroscopic Studies of 12-Oxo-5(12 H )-naphthacenylidene and 7 H -Benz[ d e ]anthracen-7-ylidene in Shpolskii Matrixes at 5 K
, The Journal of Physical Chemistry A 104(15): 3391-3397 (2000)

Atmospheric Degradation of Cf 3 Ocfcf 2 : Kinetics and Mechanism of Its Reaction with Oh Radicals and Cl Atoms
, The Journal of Physical Chemistry A 104(13): 2925-2930 (2000)

Formation of Two Isomeric C 3 Ho Radicals from Charged Precursors in the Gas Phase. Potential Interstellar Molecules
, The Journal of Physical Chemistry A 104(24): 5817-5824 (2000)

Electron Affinity for the Most Toxic 2,3,7,8-Tetrachlorodibenzo- p -dioxin (Tcdd): A Density Functional Theory Study
, The Journal of Physical Chemistry A 104(30): 7068-7072 (2000)

Ab Initio Study of the X - + Rcoy Displacement Reactions with R = H, Ch 3 and X, Y = Cl, Br
, The Journal of Physical Chemistry A 104(17): 4069-4076 (2000)

Nitrosodifluoroamine, F 2 N 2 o ,
, The Journal of Physical Chemistry A 104(15): 3406-3409 (2000)

Dynamical Chirality and the Quantum Dynamics of Bending Vibrations of the Ch Chromophore in Methane Isotopomers
, The Journal of Physical Chemistry A 104(26): 6129-6149 (2000)

(Sub)picosecond Fluorescence Upconversion Studies of Intermolecular Proton Transfer of Dipyrido[2,3- a :3,2- i ]carbazole and Related Compounds
, The Journal of Physical Chemistry A 104(31): 7167-7175 (2000)

Nitrogen-15 Nmr Study of Solid Cobaloximes Containing 15 N-Labeled Pyridine and Aniline
, The Journal of Physical Chemistry A 104(15): 3410-3420 (2000)

Reduction of the Aqueous Mercuric Ion by Sulfite: Uv Spectrum of HgSo 3 and Its Intramolecular Redox Reaction
, The Journal of Physical Chemistry A 104(8): 1621-1626 (2000)

Heats of Formation for C n F m , C n F m + , Chf m , and Chf m +
, The Journal of Physical Chemistry A 104(19): 4581-4585 (2000)

Ab Initio Molecular Orbital Calculations on No + (H 2 O) n Cluster Ions. Part I: Minimum-Energy Structures and Possible Routes to Nitrous Acid Formation
, The Journal of Physical Chemistry A 104(19): 4571-4580 (2000)

13 C Chemical Shielding Tensors in Ampicillin and Penicillin-V: A Theoretical Study
, The Journal of Physical Chemistry A 104(24): 5837-5842 (2000)

A Systematic Study of the Photophysical Processes in Polydentate Triphenylene-Functionalized Eu 3+ , Tb 3+ , Nd 3+ , Yb 3+ , and Er 3+ Complexes
, The Journal of Physical Chemistry A 104(23): 5457-5468 (2000)

From 3 [email protected] 60 to 3 [email protected] 60 : Hot-Atom Incorporation of Tritium in C 60
, The Journal of Physical Chemistry A 104(17): 3940-3943 (2000)

Zeeman Scanning of Persistent Spectral Holes in Amorphous Hosts. Application to the R 1 Line of [Cr(Ncs) 6 ] 3- in Glycerol
, The Journal of Physical Chemistry A 104(23): 5469-5474 (2000)

Relaxation Processes of Translationally Hot O( 1 D) by Collisions with O 2
, The Journal of Physical Chemistry A 104(17): 3894-3899 (2000)

No 3 Yield in the O( 3 P) + BrOno 2 Reaction
, The Journal of Physical Chemistry A 104(29): 6733-6737 (2000)

Dynamics of the Charge-Transfer-to-Solvent States in I - (Xe) n Clusters
, The Journal of Physical Chemistry A 104(12): 2527-2530 (2000)

TaF n and TaCl n Atomization Energies for n = 15
, The Journal of Physical Chemistry A 104(24): 5843-5849 (2000)

Na 2 O and Na 2 O + : Thermodynamics and Low-Lying Electronic States
, The Journal of Physical Chemistry A 104(15): 3317-3325 (2000)

Structural and Vibrational Assignment of p -Methoxyphenethylamine Conformers
, The Journal of Physical Chemistry A 104(19): 4364-4373 (2000)

Second Ionization Energies of Gaseous Iron Oxides and Hydroxides: The FeO m H n 2+ Dications ( m = 1, 2; n 4)
, The Journal of Physical Chemistry A 104(21): 5101-5110 (2000)

What Is the Solvation Number of Na + in Ammonia? An Ab Initio Qm/Mm Molecular Dynamics Study
, The Journal of Physical Chemistry A 104(30): 7073-7078 (2000)

Binding of Alkaline Earth Halide Ions Mx + to Benzene and Mesitylene
, The Journal of Physical Chemistry A 104(17): 4084-4088 (2000)

Theoretical Analysis of 31 P Nmr Chemical Shifts in Vanadium Phosphorus Oxides
, The Journal of Physical Chemistry A 104(19): 4586-4591 (2000)

Spectroscopy and Relaxation Kinetics of Matrix-Isolated Ch/D Radicals
, The Journal of Physical Chemistry A 104(16): 3842-3851 (2000)

New Apparatus for the Study of IonMolecule Reactions at Very High Pressure (25700 Torr): A Turbulent Ion Flow Tube (Tift) Study of the Reaction of Sf 6 - + So 2
, The Journal of Physical Chemistry A 104(23): 5511-5516 (2000)

Raman and Infrared Spectra of Thymine. A Matrix Isolation and Dft Study
, The Journal of Physical Chemistry A 104(16): 3852-3863 (2000)

A Solid-State Nmr and Theoretical Study of the 17 O Electric Field Gradient and Chemical Shielding Tensors of the Oxonium Ion in p -Toluenesulfonic Acid Monohydrate
, The Journal of Physical Chemistry A 104(17): 4102-4107 (2000)

Assessment of Gaussian-3 and Density Functional Theories for Enthalpies of Formation of C 1 C 16 Alkanes
, The Journal of Physical Chemistry A 104(24): 5850-5854 (2000)

First Principles Calculation of p K a Values for 5-Substituted Uracils
, The Journal of Physical Chemistry A 105(1): 274-280 (2001)

OO Bond Dissociation Enthalpy in Di(trifluoromethyl) Peroxide (Cf 3 Oocf 3 ) as Determined by Very Low Pressure Pyrolysis. Density Functional Theory Computations on OO and OH Bonds in (Fluorinated) Derivatives
, The Journal of Physical Chemistry A 104(46): 10713-10720 (2000)

Photoreactivity of Cr(Co) 4 (2,2-Bipyridine): Quantum Chemistry and Photodissociation Dynamics
, The Journal of Physical Chemistry A 105(7): 1107-1114 (2001)

A Carbon-13 and Deuterium Nmr Investigation of Solid Platinum Ethylene Complexes: Zeise's Salt and Pt( 2 -C 2 H 4 )(Pph 3 ) 2
, The Journal of Physical Chemistry A 104(34): 8131-8141 (2000)

Structural, Rotational, and Vibrational Properties of Mixed Ionized Boron Nitrogen Clusters B n N n + ( n = 310)
, The Journal of Physical Chemistry A 104(24): 5855-5860 (2000)

Zero-field Splitting of the Triplet Ground and Excited States of 7H-Benz[de]anthracen-7-ylidene in n -Hexane at 1.7 K: A Hole Burning Study
, The Journal of Physical Chemistry A 104(22): 5213-5218 (2000)

A Theoretical Study on the Reaction Mechanism of the Gas-Phase Decomposition of No by Nh 3 + and Nh 4 +
, The Journal of Physical Chemistry A 104(29): 6855-6860 (2000)

Chemical Fragmentation of C 60 F 48
, The Journal of Physical Chemistry A 104(24): 5888-5891 (2000)

Kinetics of the O( 3 P) + N 2 O Reaction. 1. Direct Measurements at Intermediate Temperatures
, The Journal of Physical Chemistry A 104(25): 6003-6012 (2000)

Kinetics of the O( 3 P) + N 2 O Reaction. 2. Interpretation and Recommended Rate Coefficients
, The Journal of Physical Chemistry A 104(25): 6013-6031 (2000)

Effects of Anions on the Nmr Relaxation of Pyridinium and Di- tert -Butylpyridinium Ions in Acid Solution. Implications for Chemisorption on Solid Acids
, The Journal of Physical Chemistry A 104(22): 5190-5196 (2000)

Novel Interaction between Glutamate and the Cu 2+ /Dmabn/-Cd Complex
, The Journal of Physical Chemistry A 104(51): 12021-12028 (2000)

Phosphorus Chemical Shift Tensors for Tetramethyldiphosphine Disulfide: A 31 P Single-Crystal Nmr, Dipolar-Chemical Shift Nmr, and Ab Initio Molecular Orbital Study
, The Journal of Physical Chemistry A 104(19): 4598-4605 (2000)

An Azepanone-Based Inhibitor of Human Cathepsin K with Improved Oral Bioavailability in the Rat and the Monkey
, Molecular Pharmaceutics 1(1): 97-100 (2004)

Novel Antitumor Prodrugs Designed for Activation by Matrix Metalloproteinases-2 and -9
, Molecular Pharmaceutics 1(1): 9-22 (2004)

Pharmacokinetic and Biodistribution Studies of N-(2- Hydroxypropyl)methacrylamide (Hpma) Copolymer- Dexamethasone Conjugates in Adjuvantinduced Arthritis (Aa) Rat Model
, Molecular Pharmaceutics 7(4): 1041-1049 (2011)

Network Aggregates Formed by C 60 and Gold Nanoparticles Capped with -Cyclodextrin Hosts
, Nano Letters 1(2): 57-60 (2001)

Precision Attachment of Individual F 1 -Atpase Biomolecular Motors on Nanofabricated Substrates
, Nano Letters 1(1): 42-44 (2001)

Slow Release of Fullerene-like Ws 2 Nanoparticles from FeNi Graphite Matrix: A Self-Lubricating Nanocomposite
, Nano Letters 1(3): 137-140 (2001)

Molecular Arrangement in C 60 and C 70 Films on Graphite and Their Nanotribological Behavior
, Nano Letters 1(2): 101-103 (2001)

Sensitivity of Nanocrystalline MgH 2 V Hydride Composite to the Carbon Monoxide during a Long-Term Cycling
, Nano Letters 1(4): 175-178 (2001)

N 2 Adsorption in an Internal Nanopore Space of Single-Walled Carbon Nanohorn: Gcmc Simulation and Experiment
, Nano Letters 1(7): 371-373 (2001)

Defunctionalization of Functionalized Carbon Nanotubes
, Nano Letters 1(8): 439-441 (2001)

Quasi One-Dimensional Arrangements of Au 55 (Pph 3 ) 12 Cl 6 Clusters and Their Electrical Properties at Room Temperature
, Nano Letters 1(8): 405-407 (2001)

Quantum Contact by Colliding 2D Fractal
, Nano Letters 1(9): 507-510 (2001)

SnO x Nanocrystallites Supported by Silica Nanostructures
, Nano Letters 1(8): 449-451 (2001)

(111)-Specific Coalescence Twinning and Martensitic Transformation of Tetragonal ZrO 2 Condensates
, Nano Letters 1(12): 707-711 (2001)

Stability Enhancement of Partially-Oxidized Porous Silicon Nanostructures Modified with Ethyl Undecylenate 1
, Nano Letters 1(12): 713-717 (2001)

Periodic Holes with 10 nm Diameter Produced by Grazing Ar + Milling of the Barrier Layer in Hexagonally Ordered Nanoporous Alumina
, Nano Letters 2(1): 37-41 (2002)

Stability of Carbon Nanoonion C 20 @C 60 @C 240 : Molecular Dynamics Simulations
, Nano Letters 2(3): 215-217 (2002)

Water-in-Co 2 Microemulsions as Nanoreactors for Synthesizing CdS and ZnS Nanoparticles in Supercritical Co 2
, Nano Letters 2(7): 721-724 (2002)

Deposition of AuNanocrystals on TiO 2 Crystallites
, Nano Letters 2(5): 507-511 (2002)

Crystallite Size Variations of Nanosized Fe 2 O 3 Powders during - to -Phase Transformation
, Nano Letters 2(3): 245-252 (2002)

Original Single Walled Nanotubules Based on Weakly Interacting Covalent Mineral Polymers, 1 [Nb 2 Ps 10 - ] in N -Methylformamide
, Nano Letters 2(4): 403-407 (2002)

Investigation of the Pore Structure of As-Prepared and Purified HiPco Single-Walled Carbon Nanotubes by N 2 /Ar Adsorption Implication for H 2 Storage
, Nano Letters 2(4): 343-346 (2002)

Novel Pmma/CaCo 3 Nanocomposites Abrasion Resistant Prepared by an in Situ Polymerization Process
, Nano Letters 1(4): 213-217 (2001)

Intraparticle Magnetic Properties of Co 3 O 4 Nanocrystals
, Nano Letters 1(7): 379-382 (2001)

Tuning the Chain Helicity and Organizational Morphology of an l -Valine-Containing Polyacetylene by pH Change
, Nano Letters 1(6): 323-328 (2001)

Controlled Synthesis of Polyhydroxyalkanoic (Pha) Nanostructures in R. eutropha
, Nano Letters 1(9): 481-485 (2001)

Self-Assembled Cu/Cu 2 O Multilayers: Deposition, Structure and Optical Properties
, Nano Letters 1(8): 401-404 (2001)

Gold Nanoclusters Supported on MgO: Synthesis, Characterization, and Evidence of Au 6
, Nano Letters 1(12): 689-692 (2001)

Controlling the Particle Size of Calcined SnO 2 Nanocrystals
, Nano Letters 1(12): 723-726 (2001)

Imaging of Nearly Uniform Os 5 C Clusters Dispersed on MgO Powder
, Nano Letters 2(4): 381-384 (2002)

Mass Spectrometry Analysis of the 1.5 nm SphaleriteCdS Core of [Cd 32 S 14 (Sc 6 H 5 ) 36 Dmf 4 ]
, Nano Letters 2(4): 375-379 (2002)

Synthesis, Self-Assembly, and Magnetic Properties of Fe x Co y Pt 100- x - y Nanoparticles
, Nano Letters 2(3): 211-214 (2002)

Cucurbit[7]uril and o -Carborane Self-Assemble to Form a Molecular Ball Bearing
, Nano Letters 2(2): 147-149 (2002)

Supramolecular Aggregates Formed by Intermolecular Inclusion Complexation of Organo-Selenium Bridged Bis(cyclodextrin)s with Calix[4]arene Derivative
, Nano Letters 2(4): 257-261 (2002)

3D Quantum Dot Lattice Inside Mesoporous Silica Films
, Nano Letters 2(4): 409-414 (2002)

One-Dimensional Arrangements of Metal Nanoclusters
, Nano Letters 2(4): 419-421 (2002)

Characterization of Surface Electrostatic Potentials of some (5,5) and ( n ,1) Carbon and Boron/Nitrogen Model Nanotubes
, Nano Letters 3(1): 21-28 (2003)

Cu 2 S/Au Core/Sheath Nanowires Prepared by a Simple Redox Deposition Method
, Nano Letters 2(5): 451-454 (2002)

Hexagonal Pore Organization in Mesostructured Metal Tin Sulfides Built with [Sn 2 S 6 ] 4- Cluster
, Nano Letters 2(5): 513-517 (2002)

Selective Coating of Single Wall Carbon Nanotubes with Thin SiO 2 Layer
, Nano Letters 2(4): 329-332 (2002)

Effects of Synthesis and Processing on Supersaturated Rare Earth-Doped Nanometric SnO 2 Powders
, Nano Letters 2(9): 969-973 (2002)

Formation of Au 55 Strands on a Molecular Template at the Solid Liquid Interface
, Nano Letters 2(5): 459-463 (2002)

Kelvin Probe Force Microscopy of Periodic Ferroelectric Domain Structure in KtiOpo 4 Crystals
, Nano Letters 2(5): 455-458 (2002)

Electrochemically Induced SolGel Preparation of Single-Crystalline TiO 2 Nanowires
, Nano Letters 2(7): 717-720 (2002)

Near-infrared Emission of Redispersible Er 3+ , Nd 3+ , and Ho 3+ Doped LaF 3 Nanoparticles
, Nano Letters 2(7): 733-737 (2002)

TiO 2 Nanoparticle Arrays Prepared Using a Nanosphere Lithography Technique
, Nano Letters 2(7): 739-745 (2002)

Reduction of the fcc to L1 0 Ordering Temperature for Self-Assembled FePt Nanoparticles Containing Ag
, Nano Letters 2(10): 1033-1036 (2002)

Nanometer-Scale Patterning of Oxygen Molecules Adsorbed on TiO 2 Surface by an Atomic Force Microscope with a Conductive Cantilever
, Nano Letters 2(9): 925-927 (2002)

Template Guided Self-Assembly of [Au 55 ] Clusters on Nanolithographically Defined Monolayer Patterns
, Nano Letters 2(10): 1055-1060 (2002)

Helical Crystalline SiC/SiO 2 Core Shell Nanowires
, Nano Letters 2(9): 941-944 (2002)

Preferential Adsorption of Horse Heart Cytochrome c on Nanometer-Scale Domains of a Phase-Separated Binary Self-Assembled Monolayer of 3-Mercaptopropionic Acid and 1-Hexadecanethiol on Au(111)
, Nano Letters 2(9): 1021-1025 (2002)

2D-Confined Nanochannels Fabricated by Conventional Micromachining
, Nano Letters 2(9): 1031-1032 (2002)

Nanoclusters in Nanocages: Platinum Clusters and Platinum Complexes in Zeolite Ltl Probed by 129 Xe Nmr Spectroscopy
, Nano Letters 2(11): 1269-1271 (2002)

Connecting Nanowires Consisting of Au 55 with Model Electrodes
, Nano Letters 2(10): 1097-1099 (2002)

Growth and Self-Assembly of BaCrO 4 and BaSo 4 Nanofibers toward Hierarchical and Repetitive Superstructures by Polymer-Controlled Mineralization Reactions
, Nano Letters 3(3): 379-382 (2003)

Stringing up the Pearls: Self-Assembly, Optical and Electronic Properties of CdSe and AuLiMo 3 Se 3 Nanoparticle Nanowire Composites
, Nano Letters 3(2): 125-129 (2003)

Binary Polyethylene Oxide/Titania Solid-State Redox Electrolyte for Highly Efficient Nanocrystalline TiO 2 Photoelectrochemical Cells
, Nano Letters 2(11): 1259-1261 (2002)

Controllable Assembly of Ordered Semiconductor Ag 2 S Nanostructures
, Nano Letters 3(1): 85-88 (2003)

Patterning of Narrow Au Nanocluster Lines Using V 2 O 5 Nanowire Masks and Ion-Beam Milling
, Nano Letters 3(2): 135-138 (2003)

Solution Phase Synthesis of Cu(Oh) 2 Nanoribbons by Coordination Self-Assembly Using Cu 2 S Nanowires as Precursors
, Nano Letters 2(12): 1397-1401 (2002)

Synthesis of Porous Nanocrystalline TiO 2 Foam
, Nano Letters 3(2): 249-251 (2003)

Electronic Response and Bandstructure Modulation of Carbon Nanotubes in a Transverse Electrical Field
, Nano Letters 3(2): 183-187 (2003)

Efficient Light Harvesting Polymers for Nanocrystalline TiO 2 Photovoltaic Cells
, Nano Letters 3(4): 523-525 (2003)

Nanostructure of Natural Fibrous Protein: In Vitro Nanofabric Formation of Samia c ynthia r icini Wild Silk Fibroin by Self-Assembling
, Nano Letters 3(10): 1329-1332 (2003)

Mechanism of Selective Growth of Carbon Nanotubes on SiO 2 /Si Patterns
, Nano Letters 3(4): 561-564 (2003)

Direct Electrodeposition of Highly Dense 50 nm Bi 2 Te 3- y Se y Nanowire Arrays
, Nano Letters 3(7): 973-977 (2003)

Synthesis, Characterization, and Manipulation of Helical SiO 2 Nanosprings
, Nano Letters 3(5): 577-580 (2003)

Enhancement of the Photoluminescence of CdSe Nanocrystals Dispersed in Chcl 3 by Oxygen Passivation of Surface States
, Nano Letters 3(6): 747-749 (2003)

Nanopatterning of Hard Magnetic Nanostructures via Dip-Pen Nanolithography and a Sol-Based Ink
, Nano Letters 3(6): 757-760 (2003)

First Principles Calculations of the Absorption Spectrum of Si 29 H 36
, Nano Letters 3(6): 847-849 (2003)

Assignment of ( n , m ) Raman and Optical Features of Metallic Single-Walled Carbon Nanotubes
, Nano Letters 3(8): 1091-1096 (2003)

Solvent-Free Atom Transfer Radical Polymerization in the Synthesis of Fe 2 O 3 @Polystyrene Core Shell Nanoparticles
, Nano Letters 3(6): 789-793 (2003)

SnO 2 Nanoribbons as No 2 Sensors: Insights from First Principles Calculations
, Nano Letters 3(8): 1025-1028 (2003)

Fermi Level of Surface States in TiO 2 Nanoparticles
, Nano Letters 3(7): 945-949 (2003)

Coherency Strain Effects on the Optical Response of Core/Shell Heteronanostructures
, Nano Letters 3(6): 799-803 (2003)

Fabrication of hcp-Co Nanocrystals via Rapid Pyrolysis in Inverse Ps- b -Pvp Micelles and Thermal Annealing
, Nano Letters 3(7): 891-895 (2003)

Relating Substitution to Single-Chain Conformation and Aggregation in Poly( p -phenylene Vinylene) Films
, Nano Letters 3(9): 1191-1196 (2003)

Local Structure of Nanoscopic Materials: V 2 O 5 Nanorods and Nanowires
, Nano Letters 3(8): 1131-1134 (2003)

Ferrous Hemin Oxidation by Organic Halides at Nanocrystalline TiO 2 Interfaces
, Nano Letters 3(8): 1151-1153 (2003)

Monolayer and Multilayer Films of [Mn 12 O 12 (O 2 Cme) 16 ]
, Nano Letters 4(3): 399-402 (2004)

The Effects of O 2 Adsorbates on Field Emission Properties of Single-Wall Carbon Nanotubes: A Density Functional Theory Study
, Nano Letters 3(9): 1209-1214 (2003)

Catalytic Microcontact Printing without Ink
, Nano Letters 3(10): 1449-1453 (2003)

Sub-10 nm Electron Beam Nanolithography Using Spin-Coatable TiO 2 Resists
, Nano Letters 3(11): 1587-1591 (2003)

Evidence for the Intramolecular Motion of Gd Atoms in a Gd 2 @C 92 Nanopeapod
, Nano Letters 3(10): 1395-1398 (2003)

Addition, Suppression, and Inhibition in the Electrophoretic Deposition of Nanocrystal Mixture Films for CdSe Nanocrystals with -Fe 2 O 3 and Au Nanocrystals
, Nano Letters 3(11): 1603-1606 (2003)

Silver Nanodisk Growth by Surface Plasmon Enhanced Photoreduction of Adsorbed [Ag + ]
, Nano Letters 3(11): 1611-1615 (2003)

Interaction of Aromatic Compounds with Carbon Nanotubes: Correlation to the Hammett Parameter of the Substituent and Measured Carbon Nanotube Fet Response
, Nano Letters 3(10): 1421-1423 (2003)

From C 2 Molecules to Self-Assembled Fullerenes in Quantum Chemical Molecular Dynamics
, Nano Letters 3(12): 1657-1664 (2003)

The Small Heat Shock Protein Cage from Methanococcus jannaschii Is a Versatile Nanoscale Platform for Genetic and Chemical Modification
, Nano Letters 3(11): 1573-1576 (2003)

The Kondo Effect in C 60 Single-Molecule Transistors
, Nano Letters 4(1): 79-83 (2004)

SiO 2 -Coated CdTe Nanowires: Bristled Nano Centipedes
, Nano Letters 4(2): 225-231 (2004)

Capillary Phase Transitions of n -Alkanes in a Carbon Nanotube
, Nano Letters 4(2): 241-244 (2004)

Superparamagnetic Fe 2 O 3 BeadsCdSe/ZnS Quantum Dots Core Shell Nanocomposite Particles for Cell Separation
, Nano Letters 4(3): 409-413 (2004)

Polycrystalline Molybdenum Disulfide (2HMoS 2 ) Nano- and Microribbons by Electrochemical/Chemical Synthesis
, Nano Letters 4(2): 277-281 (2004)

Does an Encapsulated Atom feel' the Effects of Adsorption?: X-ray Standing Wave Spectroscopy of [email protected] 82 on Ag(111)
, Nano Letters 4(2): 361-364 (2004)

Polyaniline Nanofiber Gas Sensors: Examination of Response Mechanisms
, Nano Letters 4(3): 491-496 (2004)

Piezoelectric Characterization of Individual Zinc Oxide Nanobelt Probed by Piezoresponse Force Microscope
, Nano Letters 4(4): 587-590 (2004)

Electronic Structure of [100]-Oriented Free-Standing Semiconductor Nanowires
, Nano Letters 4(12): 2409-2414 (2004)

[email protected] 60 [C(Cooh) 2 ] 10 and [email protected] 60 (Oh) x : Nanoscale Aggregation Studies of Two Metallofullerene Mri Contrast Agents in Aqueous Solution
, Nano Letters 4(12): 2373-2378 (2004)

Bismuth Telluride (Bi 2 Te 3 ) Nanowires Synthesized by Cyclic Electrodeposition/Stripping Coupled with Step Edge Decoration
, Nano Letters 4(10): 2009-2014 (2004)

Synthesis, Characterization, and Biological Application of Size-Controlled Nanocrystalline NaYf 4 :Yb,Er Infrared-to-Visible Up-Conversion Phosphors
, Nano Letters 4(11): 2191-2196 (2004)

Magnetite (Fe 3 O 4 ) Core Shell Nanowires: Synthesis and Magnetoresistance
, Nano Letters 4(11): 2151-2155 (2004)

Nanoindentation of Cu 2 O Nanocubes
, Nano Letters 4(10): 1903-1907 (2004)

Electronic Structure of Subnanometer Diameter MoS 2 I x Nanotubes
, Nano Letters 4(9): 1749-1753 (2004)

Cross-linked C 60 Polymer Breaches the Quantum Gap
, Nano Letters 4(9): 1673-1675 (2004)

Electronic Transport, Structure, and Energetics of Endohedral [email protected] 82 Metallofullerenes
, Nano Letters 4(11): 2073-2078 (2004)

Secm Measurement of the Fast Electron Transfer Dynamics between Au 38 1+ Nanoparticles and Aqueous Redox Species at a Liquid/Liquid Interface
, Nano Letters 4(9): 1763-1767 (2004)

1D Exciton Spectroscopy of Semiconductor Nanorods
, Nano Letters 4(10): 1821-1825 (2004)

Synthesis of Open-Ended, Cylindrical AuAg Alloy Nanostructures on a Si/SiO x Surface
, Nano Letters 4(8): 1493-1495 (2004)

Synthesis of Single-Crystalline La 1 - x Ba x MnO 3 Nanocubes with Adjustable Doping Levels
, Nano Letters 4(8): 1547-1550 (2004)

Nanoscale Aggregation Properties of Neuroprotective Carboxyfullerene (C 3 ) in Aqueous Solution
, Nano Letters 4(9): 1759-1762 (2004)

Thermodynamic Stability of Discrete Fully Coordinated SiO 2 Spherical and Elongated Nanocages
, Nano Letters 4(8): 1427-1432 (2004)

Piezoelectric Response and Polarization Switching in Small Anisotropic Perovskite Particles
, Nano Letters 4(7): 1339-1342 (2004)

1,2-Dichlorobenzene Interacting with Carbon Nanotubes
, Nano Letters 4(7): 1285-1288 (2004)

A Precisely Controlled DNA Biped Walking Device
, Nano Letters 4(7): 1203-1207 (2004)

2D-Structures of Quadruple Hydrogen Bonded Oligo( p -phenylenevinylene)s on Graphite: Self-Assembly Behavior and Expression of Chirality
, Nano Letters 4(7): 1175-1179 (2004)

Raman Spectroscopy and Time-Resolved Photoluminescence of Bn and B x C y N z Nanotubes
, Nano Letters 4(4): 647-650 (2004)

Self-Assembly of Highly Epitaxial (La,Sr)MnO 3 Nanorods on (001) LaAlO 3
, Nano Letters 4(4): 741-745 (2004)

Polarization Controlled Transport in PaniBaTiO 3 Nanofibers
, Nano Letters 6(5): 896-900 (2006)

Ion Implantation and Annealing for an Efficient N-Doping of TiO 2 Nanotubes
, Nano Letters 6(5): 1080-1082 (2006)

Variable Pressure Electron Beam Lithography (Vp- e Bl): A New Tool for Direct Patterning of Nanometer-Scale Features on Substrates with Low Electrical Conductivity
, Nano Letters 6(5): 963-968 (2006)

Fabrication of Well-Ordered High-Aspect-Ratio Nanopore Arrays in TiO 2 Single Crystals
, Nano Letters 6(5): 1065-1068 (2006)

Optical and Electrical Performance of SnO 2 Capped ZnO Nanowire Arrays
, Nano Letters 7(12): 3559-3563 (2007)

Preparation of Radial and Longitudinal Nanosized Heterostructures of In 2 O 3 and SnO 2
, Nano Letters 7(12): 3553-3558 (2007)

Structures of D 5 d -C 80 and I h -Er 3 [email protected] 80 Fullerenes and Their Rotation Inside Carbon Nanotubes Demonstrated by Aberration-Corrected Electron Microscopy
, Nano Letters 7(12): 3704-3708 (2007)

Controllable Fabrication and Electrical Performance of Single Crystalline Cu 2 O Nanowires with High Aspect Ratios
, Nano Letters 7(12): 3723-3728 (2007)

Ordered Vacancy Compounds and Nanotube Formation in CuInSe 2 CdS Core Shell Nanowires
, Nano Letters 7(12): 3734-3738 (2007)

Enhanced Thermoelectric Metrics in Ultra-long Electrodeposited Pedot Nanowires
, Nano Letters 11(5): 2192-2193 (2011)

Platform for Controlled Supramolecular Nanoassembly
, Nano Letters 9(10): 3669-3670 (2009)

Four New Triterpenoid Saponins from the Roots of Bupleurum r igidum
, Journal of Natural Products 63(11): 1479-1482 (2000)

Guaiane Dimers and Germacranolide from Artemisia c aruifolia
, Journal of Natural Products 63(12): 1626-1629 (2000)

Labdane-Type Diterpenes and a Nordrimane-Type Sesquiterpene from the Stem Bark of Thuja s tandishii
, Journal of Natural Products 63(10): 1381-1383 (2000)

Hemolytic Polar Steroidal Constituents of the Starfish Aphelasterias j aponica
, Journal of Natural Products 63(8): 1178-1181 (2000)

Ent -Kaurane Diterpenoids from Annona glabra
, Journal of Natural Products 63(7): 1000-1003 (2000)

Hipposulfates A and B, New Sesterterpene Sulfates from an Okinawan Sponge, Hippospongia cf. m etachromia
, Journal of Natural Products 64(3): 350-352 (2001)

Antineoplastic Agents 440. Asymmetric Synthesis and Evaluation of the Combretastatin A-1 Sar Probes (1 S ,2 S )- and (1 R ,2 R )-1,2-Dihydroxy- 1-(2,3-dihydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-ethane
, Journal of Natural Products 63(7): 969-974 (2000)

Three New Arylobenzofurans from O n obrychis e benoides and Evaluation of Their Binding Affinity for the Estrogen Receptor
, Journal of Natural Products 63(12): 1672-1674 (2000)

(2 R ,3 R ,7 Z )-2-Aminotetradec-7-ene-1,3-diol, a New Amino Alcohol from the Caribbean Sponge Haliclona vansoesti
, Journal of Natural Products 63(7): 978-980 (2000)

The Structure of Sarcomejine: An Application of Long-Range 1 H 15 N Correlation at Natural Abundance
, Journal of Natural Products 63(7): 1004-1005 (2000)

Four New Naphthylisoquinoline Alkaloids from Ancistrocladus t ectorius
, Journal of Natural Products 63(10): 1384-1387 (2000)

Synthesis of Melithasterol A, a 5,6-Epoxy-7-hydroxy 8 -Steroid
, Journal of Natural Products 63(10): 1420-1421 (2000)

New 5-Alkylpyrrole-2-carboxaldehyde Derivatives from the Sponge Mycale tenuispiculata 1
, Journal of Natural Products 63(9): 1318-1320 (2000)

Synthesis of 16,18-Dihydroxycleroda-3,13 Z -dien-16,15-olide, (+)-16-Hydroxycleroda-3,13 Z -dien-16,15-olide, and ()-Hydroxyhalima-5(10),13-dien-16,15-olide from (+)-Hardwickiic Acid
, Journal of Natural Products 63(12): 1623-1625 (2000)

Antifeedant Activity of Withanolides from Salpichroa o riganifolia on Musca d omestica
, Journal of Natural Products 63(8): 1113-1116 (2000)

Studies on Flavans. 1. Facile Synthesis of ()-7-Hydroxy-3,4-methylenedioxyflavan and ()-4-Hydroxy-7-methoxyflavan by a Bf 3 Et 2 O-Mediated Pyran Cyclization
, Journal of Natural Products 64(2): 214-216 (2001)

Bioactive Carotanes from Trichoderma v irens
, Journal of Natural Products 63(9): 1197-1200 (2000)

Microbial Transformation of the Eudesmane Sesquiterpene Plectranthone
, Journal of Natural Products 63(12): 1709-1711 (2000)

Cyclopeptide Alkaloids from Paliurus r amossisimus
, Journal of Natural Products 63(10): 1338-1343 (2000)

Streptazones A, B 1 , B 2 , C, and D: New Piperidine Alkaloids from Streptomycetes
, Journal of Natural Products 63(9): 1258-1260 (2000)

Merilactone, an Unusual C 19 Metabolite from the Root Extract of Chiococca a lba
, Journal of Natural Products 64(2): 228-231 (2001)

In Vitro Antiplasmodial, Antiamoebic, and Cytotoxic Activities of Some Monomeric Isoquinoline Alkaloids
, Journal of Natural Products 63(12): 1638-1640 (2000)

Microcyclamide, a Cytotoxic Cyclic Hexapeptide from the Cyanobacterium Microcystis a eruginosa
, Journal of Natural Products 63(9): 1315-1317 (2000)

Synthesis of the Marine Natural Product N -(4-Bromopyrrolyl-2-carbonyl)- l -homoarginine, a Putative Biogenetic Precursor of the Pyrrole Imidazole Alkaloids
, Journal of Natural Products 63(11): 1566-1569 (2000)

New Butenolides from Two Marine Streptomycetes 1
, Journal of Natural Products 63(11): 1570-1572 (2000)

Dihydrophenanthrenes from Spiranthes s inensis
, Journal of Natural Products 63(12): 1608-1610 (2000)

Cembrane Diterpenes from the Southern African Soft Coral Cladiella k ashmani
, Journal of Natural Products 63(11): 1551-1553 (2000)

An Iridoid Glucoside from Euphrasia p ectinata
, Journal of Natural Products 63(10): 1449-1450 (2000)

A New Inhibitor of 5-Hydroxyaverantin Dehydrogenase, an Enzyme Involved in Aflatoxin Biosynthesis, from Trichoderma h amatum
, Journal of Natural Products 63(12): 1677-1678 (2000)

Cassipoureamide-A and -B: New Sulfur-Containing Amides from Stem Wood of Cassipourea g uianensis
, Journal of Natural Products 63(12): 1675-1676 (2000)

Serrulatane Diterpenes with Antimycobacterial Activity Isolated from the West Indian Sea Whip Pseudopterogorgia e lisabethae 1
, Journal of Natural Products 64(1): 100-102 (2001)

Sesquiterpenes and Monoterpenes from the Bark of Inula m acrophylla
, Journal of Natural Products 64(4): 466-471 (2001)

A -Amino Acid Containing Tripeptide from a Pseudomonas Alteromonas Bacterium Associated with a Black Sea Sponge
, Journal of Natural Products 63(10): 1454-1455 (2000)

Oleanane Triterpenes from Junellia tridens
, Journal of Natural Products 63(12): 1611-1614 (2000)

New Metabolites from the West Indian Sea Feather Pseudopterogorgia b ipinnata
, Journal of Natural Products 63(11): 1548-1550 (2000)

A Cyclohexanonyl Bromophenol from the Red Alga Symphyocladia latiuscula
, Journal of Natural Products 63(12): 1705-1706 (2000)

An Unusual Sesquiterpene Derivative from the Caribbean Gorgonian Pseudopterogorgia r igida
, Journal of Natural Products 63(11): 1593-1595 (2000)

Steroidal Glycosides from the Aerial Parts of Polianthes t uberosa
, Journal of Natural Products 63(11): 1519-1523 (2000)

Microspinosamide, a New Hiv-Inhibitory Cyclic Depsipeptide from the Marine Sponge Sidonops m icrospinosa 1
, Journal of Natural Products 64(1): 117-121 (2001)

Cytotoxic Cembrenolides and Steroids from the Formosan Soft Coral Sarcophyton c rassocaule
, Journal of Natural Products 63(12): 1634-1637 (2000)

Lorneamides A and B: Two New Aromatic Amides from a Southern Australian Marine Actinomycete
, Journal of Natural Products 63(12): 1682-1683 (2000)

Flavonol Glycosides from the Flowers of Aconitum p aniculatum
, Journal of Natural Products 63(11): 1563-1565 (2000)

New Malyngamides from the Hawaiian Cyanobacterium Lyngbya m ajuscula
, Journal of Natural Products 63(12): 1599-1602 (2000)

Cacalolides from Senecio m adagascariensis
, Journal of Natural Products 64(4): 518-521 (2001)

Two New Acetylenic Derivatives and a New Meroditerpenoid from a Taiwanese Marine Sponge Strongylophora d urissima
, Journal of Natural Products 63(12): 1686-1688 (2000)

Anti-Hiv Agents 45 1 and Antitumor Agents 205. 2 Two New Sesquiterpenes, Leitneridanins A and B, and the Cytotoxic and Anti-Hiv Principles from Leitneria f loridana
, Journal of Natural Products 63(12): 1712-1715 (2000)

Schizarin B, C, D, and E, Four New Lignans from Kadsura m atsudai and Their Antihepatitis Activities
, Journal of Natural Products 64(4): 487-490 (2001)

Cytotoxic Prenyleudesmane Diterpenes from the Fruits of Dysoxylum k uskusense
, Journal of Natural Products 63(11): 1546-1547 (2000)

Two New 26,27-Cyclosterols from the Marine Sponge Strongylophora c orticata
, Journal of Natural Products 63(11): 1540-1542 (2000)

New Dihydrophenanthrene and Phenyldihydroisocoumarin Constituents of Trema o rientalis
, Journal of Natural Products 64(6): 832-835 (2001)

New 3,4- seco -Lupane-Type Triterpene Glycosides from Acanthopanax senticosus forma inermis
, Journal of Natural Products 63(12): 1630-1633 (2000)

Enzymatic Degradation of Cichoric Acid in Echinacea purpurea Preparations
, Journal of Natural Products 63(12): 1615-1618 (2000)

Multiplolides A and B, New Antifungal 10-Membered Lactones from Xylaria m ultiplex
, Journal of Natural Products 64(7): 965-967 (2001)

Activity-Guided Isolation of Antioxidative Constituents of Cotinus c oggygria
, Journal of Natural Products 63(12): 1696-1698 (2000)

Isolation of a Novel Protein Tyrosine Phosphatase Inhibitor, 2-Methyl-Fervenulone, and Its Precursors from Streptomyces
, Journal of Natural Products 63(12): 1641-1646 (2000)

Three New Cytochalasins Produced by an Endophytic Fungus in the Genus Rhinocladiella
, Journal of Natural Products 63(12): 1692-1695 (2000)

15-Acetoxycleomblynol A from Cleome a mblyocarpa
, Journal of Natural Products 64(1): 106-107 (2001)

Two Novel Iso -Branched Octadecenoic Acids from a Micrococcus Species
, Journal of Natural Products 63(11): 1573-1575 (2000)

Cytotoxic Cholestane Glycosides from the Bulbs of Ornithogalum s aundersiae
, Journal of Natural Products 64(1): 88-91 (2001)

New Marine Cembrane-type Diterpenoids from the Okinawan Soft Coral Clavularia k oellikeri
, Journal of Natural Products 63(12): 1647-1652 (2000)

Four New Triterpenoid Saponins from Conyza b linii
, Journal of Natural Products 64(1): 32-36 (2001)

Prenylated Benzophenone Derivatives from Clusia h avetiodes var. s tenocarpa
, Journal of Natural Products 64(1): 23-25 (2001)

Microbial Transformation of e nt -Kaurenoic Acid and Its 15-Hydroxy Derivatives by the Sg138 Mutant of Gibberella f ujikuroi
, Journal of Natural Products 64(2): 222-225 (2001)

Two Novel Flavanones from Greigia sphacelata
, Journal of Natural Products 63(12): 1689-1691 (2000)

Kinmoonosides AC, Three New Cytotoxic Saponins from the Fruits of Acacia c oncinna , a Medicinal Plant Collected in Myanmar
, Journal of Natural Products 63(12): 1658-1664 (2000)

A Novel Dimeric Diterpene from Salvia p rionitis
, Journal of Natural Products 64(7): 971-972 (2001)

New Oleanene Triterpenoid Saponins from Madhuca l ongifolia
, Journal of Natural Products 63(12): 1679-1681 (2000)

New Steroidal Glycosides from the Fruits of Tribulus terrestris
, Journal of Natural Products 63(12): 1699-1701 (2000)

Spongiadioxins A and B, Two New Polybrominated Dibenzo- p -dioxins from an Australian Marine Sponge Dysidea dendyi
, Journal of Natural Products 64(2): 151-153 (2001)

Echinophyllins CF, New Nitrogen-Containing Clerodane Diterpenoids from Echinodorus m acrophyllus
, Journal of Natural Products 63(11): 1576-1579 (2000)

Iridoid Glycosides from Globularia t richosantha
, Journal of Natural Products 64(1): 60-64 (2001)

New Modified Eremophilanes from the Roots of Psacalium r adulifolium
, Journal of Natural Products 64(4): 432-435 (2001)

New Macrolides and Furan Carboxylic Acid Derivative from the Sponge-Derived Fungus Cladosporium h erbarum
, Journal of Natural Products 64(4): 527-530 (2001)

Glnvillic Acids A and B and Methyl Capucinoate A, New Metabolites Isolated from the Caribbean Sponges Plakortis h alichondrioides and Plakinastrella o nkodes
, Journal of Natural Products 64(3): 281-285 (2001)

Salmoxanthin, Deepoxysalmoxanthin, and 7,8-Didehydrodeepoxysalmoxanthin from the Salmon Oncorhynchus k eta
, Journal of Natural Products 64(4): 507-510 (2001)

Iridoid Glucosides from Myxopyrum s milacifolium
, Journal of Natural Products 64(5): 632-633 (2001)

A New Macrocyclic Trichothecene, 12,13-Deoxyroridin E, Produced by the Marine-Derived Fungus Myrothecium r oridum Collected in Palau
, Journal of Natural Products 64(3): 396-398 (2001)

Hydroxylations and Methylations of Quercetin, Fisetin, and Catechin by Streptomyces g riseus
, Journal of Natural Products 64(4): 462-465 (2001)

Isoaurostatin, a Novel Topoisomerase Inhibitor Produced by Thermomonospora a lba
, Journal of Natural Products 64(2): 204-207 (2001)

New Lipopeptides from the Caribbean Cyanobacterium Lyngbya m ajuscula
, Journal of Natural Products 64(2): 200-203 (2001)

New Rearranged Limonoids from Harrisonia p erforata . Iii
, Journal of Natural Products 64(5): 634-637 (2001)

Onnamide F: A New Nematocide from a Southern Australian Marine Sponge, Trachycladus l aevispirulifer
, Journal of Natural Products 64(5): 640-642 (2001)

Structures of Five New Carotenoids from the Oyster Crassostrea g igas
, Journal of Natural Products 64(5): 578-581 (2001)

Five Novel Neuroprotective Triterpene Esters of Ulmus d avidiana var. j aponica
, Journal of Natural Products 64(3): 328-331 (2001)

New Antifeedant Bromopyrrole Alkaloid from the Caribbean Sponge Stylissa c aribica
, Journal of Natural Products 64(10): 1345-1347 (2001)

Cycloartane Triterpene Saponins from the Roots of Cimicifuga f oetida
, Journal of Natural Products 64(5): 627-629 (2001)

New a llo -Cedrane Type Sesquiterpene Hemiketals and Further Sesquiterpene Lactones from Fruits of Illicium f loridanum
, Journal of Natural Products 64(4): 411-414 (2001)

Blepharocalyxins CE, Three New Dimeric Diarylheptanoids, and Related Compounds from the Seeds of Alpinia b lepharocalyx
, Journal of Natural Products 64(4): 491-496 (2001)

Six New Diarylheptanoids from the Seeds of Alpinia b lepharocalyx
, Journal of Natural Products 64(3): 289-293 (2001)

Bioactive Constituents of the Roots of Licania i ntrapetiolaris
, Journal of Natural Products 64(4): 497-501 (2001)

Synthesis of (7 S ,15 S )- and (7 R ,15 S )-Dolatrienoic Acid 1a
, Journal of Natural Products 64(4): 472-479 (2001)

Structure of Alkaloid 275A, a Novel 1-Azabicyclo[5.3.0]decane from a Dendrobatid Frog, Dendrobates l ehmanni : Synthesis of the Tetrahydrodiastereomers
, Journal of Natural Products 64(4): 421-427 (2001)

Radiosumin B, an Unusual Dipeptide from the Cyanobacterium Microcystis a eruginosa
, Journal of Natural Products 64(5): 668-670 (2001)

A New Metabolite from the Marine Bacterium Vibrio a ngustum S14
, Journal of Natural Products 64(4): 531-532 (2001)

New Xenicane Diterpenoids from the Gorgonian Acalycigorgia inermis
, Journal of Natural Products 64(4): 540-543 (2001)

Iridoids from Rothmannia m acrophylla
, Journal of Natural Products 64(6): 796-798 (2001)

Two New Glycosides from Astragalus c aprinus
, Journal of Natural Products 64(5): 656-658 (2001)

Cytotoxic Oxoisoaporphine Alkaloids from Menispermum d auricum
, Journal of Natural Products 64(7): 968-970 (2001)

New Methoxylated Fatty Acids from the Caribbean Sponge Callyspongia f allax
, Journal of Natural Products 64(5): 620-623 (2001)