APPLICATION OF AN MC-SCF THEORY TO ORGANIC CHEMICAL-REACTIONS

被引：4

作者：

KIKUCHI, O ^{[1
]}

AOKI, K ^{[1
]}

机构：

[1] TOKYO KYOIKU UNIV, DEPT CHEM, OTSUKA 112, TOKYO, JAPAN

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 1974年 / 47卷 / 12期

关键词：

D O I：

10.1246/bcsj.47.2915

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：2915 / 2921

页数：7

共 18 条

[1] PHOTODECOMPOSITION OF KETENE TO FORM METHYLENE
BASCH, H
[J]. THEORETICA CHIMICA ACTA, 1973, 28 (02): : 151 - 160
[2] 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 - &
[3] GROUND STATES OF SIGMA-BONDED MOLECULES .10.EXTENSION OF MINDO/2 METHOD TO COMPOUNDS CONTAINING NITROGEN AND/OR OXYGEN
BODOR, N
DEWAR, MJS
HARGET, A
HASELBACH, E
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (13) : 3854 - +
[4] NEW TECHNIQUES FOR COMPUTATION OF MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) WAVEFUNCTIONS
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WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) : 1769 - &
[5] MOLECULAR-ORBITAL STUDY OF LOW-ENERGY ELECTRONIC STATES OF KETENE
DELBENE, JE
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (11) : 3713 - &
[6] GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD
DEWAR, MJS
HASELBAC.E
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) : 590 - +
[7] ALL-ELECTRON NONEMPIRICAL CALCULATIONS OF POTENTIAL SURFACES .1. DISSOCIATION OF FORMALDEHYDE INTO RADICAL PRODUCTS
FINK, WH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (04) : 1073 - &
[8] ALL-ELECTRON NONEMPIRICAL CALCULATIONS OF POTENTIAL SURFACES .2. DISSOCIATION OF FORMALDEHYDE INTO MOLECULAR PRODUCTS
FINK, WH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (04) : 1078 - &
[9] DISCONTINUITIES IN COMPUTED POTENTIAL ENERGY CURVES
GREGORY, AR
[J]. CHEMICAL PHYSICS LETTERS, 1971, 11 (03) : 271 - +
[10] GENERAL SCF OPERATOR SATISFYING CORRECT VARIATIONAL CONDITION
HIRAO, K
NAKATSUI.H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) : 1457 - 1462

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