MOLECULAR ORBITAL THEORY OF SN2 REACTIONS

被引:42
作者
LOWE, JP
机构
关键词
D O I
10.1021/ja00731a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:301 / &
相关论文
共 9 条
[1]   ORGANIC QUANTUM CHEMISTRY .24. A THEORETICAL STUDY OF STEREOCHEMISTRY OF SE2 AND SN2 REACTIONS [J].
ALLINGER, NL ;
TAI, JC ;
WU, FT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :579-&
[2]   AB INITIO CALCULATIONS ON A TYPICAL SN2REACTION - ELECTRONIC STRUCTURE OF METHYL FLUORIDE AND OF TRANSITION STATE (FCH3F)- [J].
BERTHIER, G ;
DAVID, DJ ;
VEILLARD, A .
THEORETICA CHIMICA ACTA, 1969, 14 (04) :329-&
[3]   Ab initio calculation of activation energy for an SN2 reaction [J].
Dedieu, A. ;
Veillard, A. .
CHEMICAL PHYSICS LETTERS, 1970, 5 (06) :328-330
[4]  
GOULD ES, 1959, MECHANISM STRUCTURE, P250
[5]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[6]   The electronic structure and stability of CH5+ and CH5- [J].
Mulder, J. J. C. ;
Wright, J. S. .
CHEMICAL PHYSICS LETTERS, 1970, 5 (08) :445-449
[7]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+
[8]   AN AB-INITIO LCGO-MO-SCF CALCULATION OF POTENTIAL ENERGY SURFACE FOR AN SN2-REACTION [J].
RITCHIE, CD ;
CHAPPELL, GA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (07) :1819-+
[9]   Retention and inversion in bimolecular substitution reactions of methane [J].
Van der Lugt, W. Th. A. M. ;
Ros, P. .
CHEMICAL PHYSICS LETTERS, 1969, 4 (06) :389-392