LOCALIZED ORBITAL STUDIES OF HYDROGEN-BONDING - GENERAL APPROACH AND APPLICATIONS TO WATER, FORMIC-ACID, AND PYRUVIC ACID

被引:36
作者
GORDON, MS [1 ]
TALLMAN, DE [1 ]
机构
[1] N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
关键词
D O I
10.1016/0009-2614(72)87103-3
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:385 / 392
页数:8
相关论文
共 39 条
[1]  
BENE JED, 1972, J CHEM PHYS, V56, P4923
[2]  
BRATOZ S, 1967, ADV QUANTUM CHEM, V3, P209
[3]   INFRARED STUDIES ON ROTATIONAL ISOMERISM .2. 2-FLUOROETHANOL [J].
BUCKLEY, P ;
GIGUERE, PA ;
YAMAMOTO, D .
CANADIAN JOURNAL OF CHEMISTRY, 1968, 46 (18) :2917-&
[4]   GROUND STATES OF SIGMA-BONDED MOLECULES .14. APPLICATION OF ENERGY PARTITIONING TO MINDO/2 METHOD AND A STUDY OF COPE REARRANGEMENT [J].
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (26) :7201-&
[5]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].
EDMISTON, C ;
RUEDENBERG, K .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&
[6]   CNDO BOND INDICES AND RELATIONS TO MOLECULAR ENERGIES [J].
EHRENSON, S ;
SELTZER, S .
THEORETICA CHIMICA ACTA, 1971, 20 (01) :17-&
[7]   LOCALIZED CHARGE DISTRIBUTIONS .1. GENERAL THEORY, ENERGY PARTITIONING, AND INTERNAL ROTATION BARRIER IN ETHANE [J].
ENGLAND, W ;
GORDON, MS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (19) :4649-&
[8]  
ENGLAND W, TO BE PUBLISHED
[9]   ENERGY PARTITIONING WITH CNDO METHOD [J].
FISCHER, H ;
KOLLMAR, H .
THEORETICA CHIMICA ACTA, 1970, 16 (03) :163-&
[10]  
GORDON M, TO BE PUBLISHED