Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

8-1995

Journal or Book Title

Journal of the American Chemical Society

Volume

117

Issue

31

First Page

8159

Last Page

8170

DOI

10.1021/ja00136a013

Abstract

A thorough ab initio study of how the addition of successive water molecules shifts the gas phase zwitterionneutral equilibrium of the amino acid glycine toward that of the solution phase is presented. Of particular interest is the number of water molecules necessary to stabilize the zwitterion, and how the solvent effects conformational preference. It is found that two water molecules can stabilize the glycine zwitterion, that is, give rise to a potential energy minimum with at least one vibrational level. The results are analyzed and explained using localized charge distributions.

Comments

Reprinted (adapted) with permission from Journal of the American Chemical Society 117 (1995): 8159, doi:10.1021/ja00136a013. Copyright 1995 American Chemical Society

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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