OPEN-SHELL MULTI-CONFIGURATION SELF-CONSISTENT-FIELD RESULTS FOR LOWEST ENERGY 1(PI, PI) STATE OF PLANAR ETHYLENE

被引：26

作者：

BASCH, H ^{[1
]}

机构：

[1] BAR ILAN UNIV,DEPT CHEM,RAMAT GAN,ISRAEL

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 19卷 / 03期

关键词：

D O I：

10.1016/0009-2614(73)80369-0

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：323 / 327

页数：5

共 18 条

[1] DIMERIZATION OF METHYLENES BY THEIR LEAST MOTION, COPLANAR APPROACH - MULTICONFIGURATION SELF-CONSISTENT FIELD STUDY
BASCH, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) : 1700 - &
[2] ORBITAL NATURE IN ELECTRONIC STATES OF CYCLOPROPENE
BASCH, H
[J]. MOLECULAR PHYSICS, 1972, 23 (04) : 683 - &
[3] INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE
BASCH, H
MCKOY, V
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) : 1628 - &
[4] MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE
BENDER, CF
SCHAEFER, HF
GODDARD, WA
DUNNING, TH
HUNT, WJ
[J]. CHEMICAL PHYSICS LETTERS, 1972, 15 (02) : 171 - &
[5] NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE
BUENKER, RJ
PEYERIMHOFF, SD
HSU, HL
[J]. CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) : 65 - +
[6] The theoretical description of the (pi pi*) excited states of ethylene
Dunning, T. H., Jr.
Huntt, W. J.
Goddard, W. A., III
[J]. CHEMICAL PHYSICS LETTERS, 1969, 4 (03) : 147 - 150
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[8] PI-PI TRANSITION OF ETHYLENE - ELECTRON CORRELATION AND RYDBERG CHARACTER
LEVY, B
RIDARD, J
[J]. CHEMICAL PHYSICS LETTERS, 1972, 15 (01) : 49 - &
[9] VIBRATIONAL ANALYSIS OF ELECTRONIC-SPECTRUM OF ETHYLENE BASED ON AB-INITIO SCF-CI CALCULATIONS
PEYERIMHOFF, SD
BUENKER, RJ
[J]. THEORETICA CHIMICA ACTA, 1972, 27 (03): : 243 - +
[10] ROSE J, TO BE PUBLISHED

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