Ab initio studies of structural features not easily amenable to experiment Part 24. Molecular structures and conformational analyses of the methyl esters of formic acid, acetic acid and alanine

Alsenoy, C.V.; Scarsdale, J.N.; Schafer, L.

Journal of Molecular Structure 90: 297-304


ISSN/ISBN: 0022-2860
DOI: 10.1016/0022-2860(82)90230-7
Accession: 061655695

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The molecular structures of four conformations of methyl formate, of two conformations, each, of methyl acetate and methyl alanate have been determined by ab initio force relaxation on the 4-21G level. Relative stabilities and some selected structural aspects are discussed.