AB-INITIO SCF INVESTIGATION OF GAMMA-HYDROXYBUTYRIC ACID

被引：0

作者：

FLOCK, M ^{[1
]}

RAMEK, M ^{[1
]}

机构：

[1] GRAZ TECH UNIV, INST PHYS & THEORET CHEM, A-8010 GRAZ, AUSTRIA

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1994年 / 116卷

关键词：

D O I：

暂无

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The potential energy surface of gamma-hydroxybutyric acid was investigated by means of ab initio 4-31G SCF calculations. Sixty-six symmetry unique local minima are contained in this potential energy surface. Intramolecular interactions and all reactions, which involve the intramolecular hydrogen bond CO-O-H...O-H are discussed. Combination with the results for gamma-aminobutyric acid yields a comparison of hydrogen bonds involving the groups -OH and -NH2.

引用

页码：269 / 278

页数：10

共 29 条

[1]

BADER RWF, 1990, ATOMS MOL, P19

[2] GAMMA-HYDROXYBUTYRATE, A NORMAL BRAIN METABOLITE [J].

BESSMAN, SP ;

FISHBEIN, WN .

NATURE, 1963, 200 (491) :1207-&

[3] LOW-DOSES OF GAMMA-HYDROXYBUTYRIC ACID STIMULATE THE FIRING RATE OF DOPAMINERGIC-NEURONS IN UNANESTHETIZED RATS [J].

DIANA, M ;

MEREU, G ;

MURA, A ;

FADDA, F ;

PASSINO, N ;

GESSA, G .

BRAIN RESEARCH, 1991, 566 (1-2) :208-211

[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[5] PHARMACOKINETICS OF GAMMA-HYDROXYBUTYRIC ACID IN ALCOHOL DEPENDENT PATIENTS AFTER SINGLE AND REPEATED ORAL DOSES [J].

FERRARA, SD ;

ZOTTI, S ;

TEDESCHI, L ;

FRISON, G ;

CASTAGNA, F ;

GALLIMBERTI, L ;

GESSA, GL ;

PALATINI, P .

BRITISH JOURNAL OF CLINICAL PHARMACOLOGY, 1992, 34 (03) :231-235

[6]

FLOCK M, 1992, INT J QUANTUM CHEM, P505

[7]

FLOCK M, 1994, THESIS TU GRAZ

[8]

GESSA G. L., 1966, LIFE SCI, V5, P1921, DOI 10.1016/0024-3205(66)90261-X

[9]

HASENEIN AA, 1990, SELF CONSISTENT FIEL, P670

[10] INTRAMOLECULAR VIBRATIONS OF SMALL WATER CLUSTERS [J].

HONEGGER, E ;

LEUTWYLER, S .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) :2582-2595

← 1 2 3 →