QUANTITATIVE NON-EMPIRICAL ESTIMATES OF EFFECTS OF ORBITAL INTERACTIONS - APPLICATIONS TO DIFLUOROETHYLENES

被引:44
作者
BERNARDI, F
BOTTONI, A
EPIOTIS, ND
GUERRA, M
机构
[1] CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
[2] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
关键词
D O I
10.1021/ja00487a007
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6018 / 6022
页数:5
相关论文
共 15 条
[1]   PI-ELECTRON HYPERCONJUGATION IN ORGANIC MOLECULES AND IONS [J].
BAIRD, NC .
THEORETICA CHIMICA ACTA, 1970, 16 (03) :239-&
[2]   THEORETICAL MOLECULAR-ORBITAL STUDY OF ALLYL ION-PAIR [J].
BERNARDI, F ;
EPIOTIS, ND ;
YATES, RL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1334-1337
[3]   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-+
[4]   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
[5]   OVERLAP REPULSION AS AN IMPORTANT CONTRIBUTOR TO AROMATICITY [J].
EPIOTIS, ND ;
YATES, RL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (02) :461-469
[6]   ATTRACTIVE NONBONDED INTERACTIONS IN ORGANIC-MOLECULES [J].
EPIOTIS, ND .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (10) :3087-3096
[7]  
EPIOTIS ND, 1977, TOP CURR CHEM, V70
[8]  
HEHRE WJ, 236 QUANTUM CHEM PRO
[9]   STERIC ATTRACTION [J].
HOFFMANN, R ;
LEVIN, CC ;
MOSS, RA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) :629-631
[10]   INTERACTION OF ORBITALS THROUGH SPACE AND THROUGH BONDS [J].
HOFFMANN, R .
ACCOUNTS OF CHEMICAL RESEARCH, 1971, 4 (01) :1-&