GENERALIZED VALENCE BOND DESCRIPTION OF ALLYL RADICAL

被引:64
作者
LEVIN, G [1 ]
GODDARD, WA [1 ]
机构
[1] CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
关键词
D O I
10.1021/ja00840a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1649 / 1656
页数:8
相关论文
共 21 条
[1]   ELECTRONIC SPECTRA OF FREE ALLYL RADICAL AND SOME OF ITS SIMPLE DERIVATIVES [J].
CALLEAR, AB ;
LEE, HK .
TRANSACTIONS OF THE FARADAY SOCIETY, 1968, 64 (542P) :308-&
[2]   ELECTRONIC ABSORPTION SPECTRUM AND DISSOCIATION ENERGY OF ALLYL RADICAL [J].
CURRIE, CL ;
RAMSAY, DA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (02) :488-+
[4]   LOW-LYING PI-ELECTRON STATES OF TRANS-BUTADIENE [J].
DUNNING, TH ;
HOSTENY, RP ;
SHAVITT, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (15) :5067-5068
[5]  
DUNNING TH, 1971, PRIVATE COMMUNICATIO
[6]  
DUNNING TH, 1969, THESIS CALIFORNIA I
[7]   GENERALIZED ORBITAL DESCRIPTION OF REACTIONS SMALL MOLECULES [J].
GODDARD, WA ;
LADNER, RC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (25) :6750-&
[8]   GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES [J].
GODDARD, WA ;
DUNNING, TH ;
HUNT, WJ ;
HAY, PJ .
ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (11) :368-376
[9]   ROLE OF KINETIC-ENERGY IN CHEMICAL BINDING .2. CONTRAGRADIENCE [J].
GODDARD, WA ;
WILSON, CW .
THEORETICA CHIMICA ACTA, 1972, 26 (03) :211-&
[10]  
Harris F. E, 1967, ADV QUANTUM CHEM, V3, P61