ELECTRON CORRELATION AND BASIS EFFECTS IN THEORY OF HYDROGEN-BONDS - MIXED DIMER AMMONIA-WATER

被引:98
作者
MEUNIER, A
LEVY, B
BERTHIER, G
机构
[1] CNRS,LAB BIOCHIM,PARIS 75005,FRANCE
[2] ECOLE NORM SUPER JEUNES FILLES,LAB CHIM,MONTROUGE 92120,FRANCE
[3] INST BIOL PHYS CHIM,PARIS 75005,FRANCE
来源
THEORETICA CHIMICA ACTA | 1973年 / 29卷 / 01期
关键词
D O I
10.1007/BF00528166
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
引用
收藏
页码:49 / 55
页数:7
相关论文
共 22 条
[1]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .12. HYDROGEN BRIDGES IN GUANINE-CYTOSINE PAIR AND IN DIMERIC FORM OF FORMIC ACID [J].
CLEMENTI, E ;
MEHL, J ;
VONNIESS.W .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :508-&
[2]  
Coulson C. A., 1957, RESEARCH, V10, P149
[3]  
DAUDEY JP, TO BE PUBLISHED
[4]   A NON-EMPIRICAL STUDY OF HYDROGEN BONDING IN DIMER OF FORMAMIDE [J].
DREYFUS, M ;
MAIGRET, B ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1970, 17 (02) :109-&
[5]   NON-EMPIRICAL STUDY OF HYDROGEN BOND BETWEEN PEPTIDE UNITS [J].
DREYFUS, M ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1970, 19 (01) :20-+
[6]   CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].
FOSTER, JM ;
BOYS, SF .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302
[7]   Origin of the dimerization energy of BH3 to B2H6 [J].
Gelus, M. ;
Ahlrichs, R. ;
Staemmler, V. ;
Kutzelnigg, W. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (05) :503-505
[8]   LCAO SCF COMPUTATIONS FOR AMMONIA [J].
KALDOR, U ;
SHAVITT, I .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) :888-&
[9]   THEORY OF HYDROGEN-BOND DIRECTIONALITY [J].
KOLLMAN, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (06) :1837-&
[10]   AN SCF PARTITIONING SCHEME FOR HYDROGEN BOND [J].
KOLLMAN, PA ;
ALLEN, LC .
THEORETICA CHIMICA ACTA, 1970, 18 (04) :399-&