CORRELATION EFFECTS IN SPECTRA OF POLYENES

被引:419
作者
SCHULTEN, K
OHMINE, I
KARPLUS, M
机构
[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
[2] UNIV PARIS 7 CNRS,CHIM THEORIQUE LAB,PARIS 5,FRANCE
关键词
D O I
10.1063/1.432121
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:4422 / 4441
页数:20
相关论文
共 76 条
[1]   CIRCULAR-DICHROISM OF AN OPTICALLY-ACTIVE BENZENE CHROMOPHORE-1-METHYLINDAN [J].
ALLEN, SD ;
SCHNEPP, O .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) :4547-4556
[2]   ORGANIC QUANTUM CHEMISTRY .9. ULTRAVIOLET SPECTRA OF UNSATURATED HYDROCARBONS . WOODWARDS RULES [J].
ALLINGER, NL ;
TAI, JC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (10) :2081-&
[3]   OPEN-SHELL MULTI-CONFIGURATION SELF-CONSISTENT-FIELD RESULTS FOR LOWEST ENERGY 1(PI, PI) STATE OF PLANAR ETHYLENE [J].
BASCH, H .
CHEMICAL PHYSICS LETTERS, 1973, 19 (03) :323-327
[4]   MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE [J].
BENDER, CF ;
SCHAEFER, HF ;
GODDARD, WA ;
DUNNING, TH ;
HUNT, WJ .
CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :171-&
[5]   POSSIBLE INFLUENCE OF A LOW-LYING COVALENT EXCITED-STATE ON ABSORPTION-SPECTRUM AND PHOTOISOMERIZATION OF 11-CIS RETINAL [J].
BIRGE, RR ;
SCHULTEN, K ;
KARPLUS, M .
CHEMICAL PHYSICS LETTERS, 1975, 31 (03) :451-454
[6]   Assignment of two electronic states of benzene [J].
Birks, J. B. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (08) :567-568
[7]  
BIRKS JB, 1975, 1974 C RAD P
[8]  
BLOOR JE, 1960, P CHEM SOC, V1960, P413
[9]   Giant pulse laser photolysis of benzene and mesitylene [J].
Bonneau, Roland ;
Joussot-Dubien, Jacques .
CHEMICAL PHYSICS LETTERS, 1969, 3 (06) :353-356
[10]   2000 A ABSORPTION SYSTEM OF BENZENE SINGLE-CRYSTAL IN POLARIZED-LIGHT [J].
BRILLANTE, A ;
TALIANI, C ;
ZAULI, C .
MOLECULAR PHYSICS, 1973, 25 (06) :1263-1271