MOLECULAR-ORBITAL CALCULATION OF CHEMICALLY INTERACTING SYSTEMS - INTERACTION BETWEEN RADICAL AND CLOSED-SHELL MOLECULES

被引:67
作者
FUJIMOTO, H [1 ]
MINATO, T [1 ]
FUKUI, K [1 ]
YAMABE, S [1 ]
机构
[1] KYOTO UNIV,FAC ENGN,SAKYO,KYOTO,JAPAN
关键词
D O I
10.1021/ja00781a036
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:9205 / 9210
页数:6
相关论文
共 40 条
[1]   POTENTIAL SURFACES FOR ADDITION REACTIONS OF PI-SYSTEMS [J].
BASILEVS.MV ;
TIKHOMIR.VA ;
CHLENOV, IE .
THEORETICA CHIMICA ACTA, 1971, 23 (01) :75-&
[2]   A SEMI-EMPIRICAL CALCULATION OF POTENTIAL SURFACE FOR CH3 + CH2 = CH2 REACTION [J].
BASILEVS.MV ;
CHLENOV, IE .
THEORETICA CHIMICA ACTA, 1969, 15 (02) :174-&
[3]   EFFECT OF CONJUGATION, HYPERCONJUGATION, AND STERIC HINDRANCE ON METHYL AFFINITIES [J].
BINKS, JH ;
SZWARC, M .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (06) :1494-1501
[4]  
CLARKE EWC, 1960, P CHEM SOC LONDON, P69
[5]   THE THEORY OF THE STRUCTURE OF FREE RADICALS [J].
COULSON, CA .
DISCUSSIONS OF THE FARADAY SOCIETY, 1947, 2 :9-18
[7]   INTERMOLECULAR ORBITAL THEORY .3. THERMAL AND PHOTOCHEMICAL DIMERIZATION OF UNSATURATED KETONES [J].
DEVAQUET, A ;
SALEM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (14) :3793-&
[8]   GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].
DEWAR, MJS ;
HASELBAC.E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+
[9]   NON-EMPIRICAL STUDY OF HYDROGEN BOND BETWEEN PEPTIDE UNITS [J].
DREYFUS, M ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1970, 19 (01) :20-+
[10]  
FUJIMOTO H, 1971, TETRAHEDRON LETT, P443