MOLECULAR-ORBITALS FROM GROUP ORBITALS .5. ROLE OF STERIC EFFECTS IN PERTURBATIONAL MOLECULAR-ORBITAL METHOD OF CONFORMATIONAL-ANALYSIS

被引:18
作者
WOLFE, S [1 ]
MITCHELL, DJ [1 ]
WHANGBO, MH [1 ]
机构
[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
关键词
D O I
10.1021/ja00474a055
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1936 / 1938
页数:3
相关论文
共 6 条
[1]   RECENT ATTEMPT TO APPLY FRONTIER ORBITAL THEORY TO NUCLEOPHILIC AROMATIC-SUBSTITUTION [J].
BURDON, J ;
PARSONS, IW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (23) :7445-7447
[2]   IMPORTANCE OF NONBONDED ATTRACTION IN 2-BUTENE [J].
EPIOTIS, ND ;
YATES, RL ;
BERNARDI, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (21) :5961-5968
[3]  
Jorgensen W.L., 1973, ORGANIC CHEMIST BOOK, Vfirst
[4]   MOLECULAR-ORBITALS FROM GROUP ORBITALS .3. QUANTITATIVE PERTURBATIONAL MOLECULAR-ORBITAL ANALYSIS OF ABINITIO SCF-MO WAVE-FUNCTIONS [J].
WHANGBO, MH ;
SCHLEGEL, HB ;
WOLFE, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) :1296-1304
[5]   MOLECULAR-ORBITALS FROM GROUP ORBITALS .4. QUANTITATIVE PERTURBATIONAL MOLECULAR-ORBITAL ANALYSIS OF METHYL ROTATIONAL BARRIERS IN (CH3)2X MOLECULES - EFFECT OF FRAGMENTATION MODE UPON RESULTS OF ANALYSIS [J].
WHANGBO, MH ;
WOLFE, S .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1977, 55 (15) :2778-2787
[6]  
WHANGBO MH, J AM CHEM SOC