+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

Ab initio molecular dynamics study of ascorbic acid in aqueous solution



Ab initio molecular dynamics study of ascorbic acid in aqueous solution



Molecular Physics 105(1): 17-23




Please choose payment method:






(PDF emailed within 0-6 h: $19.90)

Accession: 067271982

Download citation: RISBibTeXText

DOI: 10.1080/00268970601126718


Related references

Proton transfer between acetic acid and methylamine in aqueous solution. Ab initio and molecular dynamics study of free energies of hydration. Journal of Molecular Structure 270: 247-262, 1992

Structure and dynamics of the CrIII ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation. Journal of Computational Chemistry 25(13): 1576-1583, 2004

Structure and Dynamics of the Cd 2+ Ion in Aqueous Solution: Ab Initio Qm/Mm Molecular Dynamics Simulation. The Journal of Physical Chemistry A 107(48): 10330-10334, 2003

Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study. Physical Chemistry Chemical Physics 8(14): 1675-1681, 2006

Structure and dynamics of the U4+ ion in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics study. Inorganic Chemistry 48(9): 3993-4002, 2009

Erbium(III) in aqueous solution: an ab initio molecular dynamics study. Journal of Physical Chemistry. B 117(48): 15151-6, 2013

Ab initio molecular dynamics study of an aqueous NaCl solution under an electric field. Physical Chemistry Chemical Physics 18(33): 23164-23173, 2016

The Jahn-Teller effect of the Cr(2+) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations. Journal of Computational Chemistry 29(1): 115-121, 2008

Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution. Journal of Chemical Theory and Computation 4(7): 1040-1048, 2008

Deprotonation of a histidine residue in aqueous solution using constrained ab initio molecular dynamics. Journal of the American Chemical Society 124(45): 13380, 2002

Structural and dynamical properties of the V(3+) ion in dilute aqueous solution: An ab initio QM/MM molecular dynamics simulation. Journal of Computational Chemistry 30(16): 2777-2783, 2009

Carbon dioxide capture in 2,2'-iminodiethanol aqueous solution from ab initio molecular dynamics simulations. Journal of Chemical Physics 149(22): 224103, 2018

The Jahn-Teller effect of the TiIII ion in aqueous solution: extended ab initio QM/MM molecular dynamics simulations. Chemphyschem 5(10): 1499-1506, 2004

Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface. Journal of Physical Chemistry. B 123(3): 729-737, 2019

An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution. Journal of Computational Chemistry 31(8): 1785-1792, 2010