AB-INITIO SCF INVESTIGATION OF GAMMA-AMINOBUTYRIC-ACID

被引：5

作者：

RAMEK, M

FLOCK, M

机构：

[1] Institut für Physikalische und Theoretische Chemie, Technische Universität Graz, Graz, A-8010

来源：

AMINO ACIDS | 1995年 / 8卷 / 03期

关键词：

AMINO ACIDS; GABA; H-BOND; INTRAMOLECULAR; STRUCTURE; AB-INITIO;

D O I：

10.1007/BF00806824

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The potential energy surface of the neutral form of gamma-aminobutyric acid was investigated by means of ab-initio 4-31G SCF calculations. Geometries, energies, and selected wave numbers of al 62 symmetry unique local minima are reported. Intramolecular interactions and all reactions, which involve the intramolecular hydrogen bond, are discussed and compared with those present in the homologues beta-alanine and glycine.

引用

页码：271 / 289

页数：19

共 46 条

[41] THE PARITY VIOLATING ENERGY DIFFERENCES BETWEEN THE ENANTIOMERS OF ALPHA-AMINO-ACIDS [J].