A THEORETICAL INVESTIGATION OF SOME LOW-LYING SINGLET-STATES OF 1,3-BUTADIENE

被引:99
作者
CAVE, RJ [1 ]
DAVIDSON, ER [1 ]
机构
[1] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
关键词
D O I
10.1021/j100301a013
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:4481 / 4490
页数:10
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共 51 条
[31]   ON THE VALENCE EXCITED-STATES OF CONJUGATED POLYENES [J].
MCDIARMID, R .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (01) :9-11
[32]   CONFIGURATION INTERACTION CALCULATIONS ON PLANAR (PI,PISTAR)-1 STATE OF ETHYLENE [J].
MCMURCHIE, LE ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (07) :2959-2971
[33]   ELECTRONIC SPECTROSCOPY OF S-TRANS 1,3-BUTADIENE BY ELECTRON-IMPACT [J].
MOSHER, OA ;
FLICKER, WM ;
KUPPERMANN, A .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6502-6511
[34]   VALENCE ELECTRONIC EXCITED-STATES OF TRANS-1,3-BUTADIENE AND TRANS, TRANS-1,3,5-HEXATRIENE FROM GENERALIZED VALENCE BOND AND CONFIGURATION INTERACTION CALCULATIONS [J].
NASCIMENTO, MAC ;
GODDARD, WA .
CHEMICAL PHYSICS, 1979, 36 (02) :147-160
[35]   THE RYDBERG STATES OF TRANS-BUTADIENE FROM GENERALIZED VALENCE BOND AND CONFIGURATION-INTERACTION CALCULATIONS [J].
NASCIMENTO, MAC ;
GODDARD, WA .
CHEMICAL PHYSICS, 1980, 53 (03) :251-263
[36]   THEORETICAL INVESTIGATIONS OF THE ELECTRONIC STATES OF PORPHYRINS .2. NORMAL AND HYPER PHOSPHORUS PORPHYRINS [J].
RAWLINGS, DC ;
DAVIDSON, ER ;
GOUTERMAN, M .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 26 (02) :251-274
[37]   ELECTRON ENERGY-LOSS STUDIES OF TRANS-1,3-BUTADIENE [J].
REDDISH, T ;
WALLBANK, B ;
COMER, J .
CHEMICAL PHYSICS, 1986, 108 (01) :159-165
[38]  
Robin M. B., 1985, HIGHER EXCITED STATE, VIII
[39]  
Robin MB, 1975, HIGHER EXCITED STATE
[40]   ELECTRONIC-SPECTRA OF BUTADIENE AND ITS METHYL-DERIVATIVES - A MULTI-PHOTON IONIZATION STUDY [J].
ROTHBERG, LJ ;
GERRITY, DP ;
VAIDA, V .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (11) :5508-5513