LOCALIZED BONDS IN SCF WAVEFUNCTIONS FOR POLYATOMIC MOLECULES .3. C-H AND C-C BONDS

被引:111
作者
NEWTON, MD
SWITKES, E
LIPSCOMB, WN
机构
关键词
D O I
10.1063/1.1674384
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:2645 / &
相关论文
共 52 条
[3]   MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].
BONACCOR.R ;
SCROCCO, E ;
TOMASI, J .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5270-&
[4]  
COULSON CA, 1949, PHILOS MAG, V40, P1
[5]   BENT BONDS IN CYCLOALKANES [J].
COULSON, CA ;
GOODWIN, TH .
JOURNAL OF THE CHEMICAL SOCIETY, 1962, (AUG) :2851-&
[6]  
COULSON CA, 1963, J CHEM SOC, P3161
[7]  
DEWAR MJS, 1962, HYPERCONJUGATION, P71
[8]   THE VALENCE STRUCTURE OF THE BORON HYDRIDES [J].
EBERHARDT, WH ;
CRAWFORD, B ;
LIPSCOMB, WN .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (06) :989-1001
[9]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2 [J].
EDMISTON, C ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S097-+
[10]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].
EDMISTON, C ;
RUEDENBERG, K .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&