THE MOLECULAR-STRUCTURE OF THE LOWEST TRIPLET-STATE OF BENZENE - QUINOID OR ANTI-QUINOID

被引:25
作者
OSAMURA, Y
机构
关键词
D O I
10.1016/0009-2614(88)87416-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:541 / 544
页数:4
相关论文
共 11 条
[1]   EXPERIMENTAL OBSERVATION OF SINGLET-TRIPLET ABSORPTION IN PURE CRYSTALLINE BENZENE [J].
BURLAND, DM ;
CASTRO, G ;
ROBINSON, GW .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (08) :4100-&
[2]  
Dupuis M., 1980, NRCC SOFTWARE CATALO, V1
[4]   CLUSTER-EXPANSION OF THE WAVE-FUNCTION - VALENCE AND RYDBERG EXCITATIONS AND IONIZATIONS OF BENZENE [J].
KITAO, O ;
NAKATSUJI, H .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) :1169-1182
[5]   STRUCTURES AND PROPERTIES OF EXCITED-STATES OF BENZENE AND SOME MONOSUBSTITUTED BENZENES [J].
MALAR, EJP ;
JUG, K .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (16) :3508-3516
[6]   GEOMETRICAL STRUCTURES OF ELECTRONICALLY EXCITED-STATES OF CONJUGATED HYDROCARBONS [J].
NAKAJIMA, T ;
TOYOTA, A ;
KATAOKA, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (21) :5610-5616
[8]   THE BENZENE GROUND-STATE POTENTIAL SURFACE .2. HARMONIC FORCE-FIELD FOR THE PLANAR VIBRATIONS [J].
OZKABAK, AG ;
GOODMAN, L .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2564-2582
[9]   THE BENZENE GROUND-STATE POTENTIAL SURFACE .1. FUNDAMENTAL FREQUENCIES FOR THE PLANAR VIBRATIONS [J].
THAKUR, SN ;
GOODMAN, L ;
OZKABAK, AG .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (12) :6642-6656
[10]   VIBRONIC INTERACTION IN LOWER ELECTRONIC STATES OF BENZENE .I. REVIEW OF STATIC PROBLEM AND SOLUTION OF PSEUDO-CYLINDRICAL VIBRONIC EQUATIONS [J].
VANDERWA.JH ;
BERGHUIS, AM ;
DEGROOT, MS .
MOLECULAR PHYSICS, 1967, 13 (04) :301-&