INEQUALITY FORMULATION OF CONFORMATIONAL ENERGY DIFFERENCES

被引:5
作者
COLPA, JP [1 ]
SCHLEGEL, HB [1 ]
WOLFE, S [1 ]
机构
[1] QUEENS UNIV, DEPT CHEM, KINGSTON K7L 3N6, ONTARIO, CANADA
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1976年 / 54卷 / 04期
关键词
D O I
10.1139/v76-073
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:526 / 530
页数:5
相关论文
共 14 条
[1]   HUNDS RULE AND Z-EXPANSION FOR ENERGY, ELECTRON REPULSION AND ELECTRON NUCLEAR ATTRACTION [J].
COLPA, JP ;
ISLIP, MFJ .
MOLECULAR PHYSICS, 1973, 25 (03) :701-705
[2]  
COLPA JP, 1975, MOL PHYS, V29, P1861, DOI 10.1080/00268977500101631
[3]  
COLPA JP, 1973, MOL PHYS, V26, P1455
[4]  
COLPA JP, 1974, MOL PHYS, V28, P501
[5]   SINGLE-CONFIGURATION CALCULATIONS ON EXCITED STATES OF HELIUM .2. [J].
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (12) :4199-&
[6]   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-+
[7]  
HEHRE WJ, GAUSSIAN 70 QUANTUM
[8]   POTENTIAL-ENERGY SURFACES OF CH3+ AND CH3- [J].
KARI, RE ;
CSIZMADIA, IG .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1443-+
[9]   STUDY OF INTERPRETATION OF HUNDS RULE [J].
KATRIEL, J .
THEORETICA CHIMICA ACTA, 1972, 23 (04) :309-&
[10]  
LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175