SEMIEMPIRICAL MC-SCF THEORY .1. CLOSED SHELL GROUND-STATE MOLECULES

被引：21

作者：

EAKER, CW ^{[1
]}

HINZE, J ^{[1
]}

机构：

[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1974年 / 96卷 / 13期

关键词：

D O I：

10.1021/ja00820a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：4084 / 4089

页数：6

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共 18 条

[1] GROUND-STATES OF SIGMA-BONDED MOLECULES .18. IMPROVED VERSION OF MINDO/2 AND ITS APPLICATION TO CARBONIUM-IONS AND PROTONATED CYCLOPROPANES
BODOR, N
LO, DH
DEWAR, MJS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (15) : 5303 - &
[2] BODOR N, 1970, J AM CHEM SOC, V92, P3254
[3] A SELF CONSISTENT FIELD MOLECULAR ORBITAL TREATMENT INCLUDING EXCITED STATES OF CYCLOPROPANE ETHYLENE OXIDE AND ETHYLENIMINE
CLARK, DT
[J]. THEORETICA CHIMICA ACTA, 1968, 10 (02): : 111 - +
[4] DELBENE J, 1968, J CHEM PHYS, V48, P4050
[5] USE OF CNDO METHOD IN SPECTROSCOPY .3. MONOSUBSTITUTED BENZENES AND PYRIDINES
DELBENE, J
JAFFE, HH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) : 1221 - &
[6] GROUND-STATES OF SIGMA-BONDED MOLECULES .17. FLUORINE-COMPOUNDS
DEWAR, MJS
LO, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (15) : 5296 - &
[7] 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 - +
[8] A REPARAMETRIZATION OF CNDO METHOD .I. HYDROCARBONS
FISCHER, H
KOLLMAR, H
[J]. THEORETICA CHIMICA ACTA, 1969, 13 (03): : 213 - &
[9] GILBERT LT, 1972, PHYS REV A, V6, P580
[10] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHOD
HINZE, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) : 6424 - 6432