ABINITIO INVESTIGATION OF SEVERAL LOW-LYING STATES OF ALL-TRANS-OCTATETRAENE

被引：30

作者：

CAVE, RJ ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 08期

关键词：

D O I：

10.1021/j100319a019

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

页码：2173 / 2177

页数：5

共 31 条

[1] (ALL-E)-1,3,5,7-OCTATETRAENE - ELECTRON-ENERGY-LOSS AND ELECTRON-TRANSMISSION SPECTRA [J].

ALLAN, M ;

NEUHAUS, L ;

HASELBACH, E .

HELVETICA CHIMICA ACTA, 1984, 67 (07) :1776-1782

[2] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&

[3] THEORETICAL INVESTIGATION OF SEVERAL LOW-LYING STATES OF TRANS, TRANS-1,3,5-HEXATRIENE [J].

CAVE, RJ ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (03) :614-620

[4] A THEORETICAL INVESTIGATION OF SOME LOW-LYING SINGLET-STATES OF 1,3-BUTADIENE [J].

CAVE, RJ ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (17) :4481-4490

[5]

CAVE RJ, UNPUB

[6] ELECTRONIC-ENERGY LEVELS IN A HOMOLOGOUS SERIES OF UNSUBSTITUTED LINEAR POLYENES [J].

DAMICO, KL ;

MANOS, C ;

CHRISTENSEN, RL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (06) :1777-1782

[7]

Dunning T.H., 1977, MODERN THEORETICAL C, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

[8]

DUNNING TH, 1970, J CHEM PHYS, V53, P282

[9] OBSERVATION OF HIDDEN ELECTRONIC STATES BY 2-PHOTON EXCITATION SPECTROSCOPY - CONFIRMATION OF LOW-ENERGY 1AG STATE OF DIPHENYLOCTATETRAENE [J].

FANG, HLB ;

THRASH, RJ ;

LEROI, GE .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (07) :3389-3391

[10] AN APPROXIMATION TO FROZEN NATURAL ORBITALS THROUGH THE USE OF THE HARTREE-FOCK EXCHANGE POTENTIAL [J].

FELLER, D ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :3977-3979

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