Ab initio molecular orbital calculations including solvent effects by generalized Born formula. Conformation of zwitterionic forms of glycine, alanine and serine in water-Reference-Cited by-同舟云学术

Ab initio molecular orbital calculations including solvent effects by generalized Born formula. Conformation of zwitterionic forms of glycine, alanine and serine in water

Published:1994-03 Issue: Volume:305 Page:79-87
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Kikuchi Osamu,Matsuoka Takayuki,Sawahata Hiroyuki,Takahashi Ohgi

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference30 articles.

1. Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution

2. An MNDO-effective charge model study of the solvent effect: The internal rotation about partial double bonds and the nitrogen inversion in amine

3. MNDO-effective charge model study of solvent effect on the potential energy surface of the SN2 reaction

4. Generalized born fragment charge model for solvation effects as a function of reaction coordinate

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