LOCALIZED MOLECULAR-ORBITALS FOR CO2 AND CO32- - COMPARISON OF LOCALIZATION TYPES AND A COMMENT ON ISOELECTRONIC STRUCTURES

被引：8

作者：

BROWN, LD ^{[1
]}

KLEIER, DA ^{[1
]}

LIPSCOMB, WN ^{[1
]}

机构：

[1] HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 21期

关键词：

D O I：

10.1021/ja00463a001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：6787 / 6792

页数：6

共 45 条

[1] STRUCTURE OF BERYLLIUM BORON HYDRIDES BEBH5 AND BEB2H8 [J].

AHLRICHS, R .

CHEMICAL PHYSICS LETTERS, 1973, 19 (02) :174-178

[2] SCF MINIMAL BASIS SET CALCULATIONS AND EXCLUSIVE ORBITALS FOR CN- HCN N3- HN3 NCO- AND HNCO [J].

BONACCOR.R ;

PETRONGO.C ;

SCROCCO, E ;

TOMASI, J .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) :1500-&

[3] CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER [J].

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :296-299

[4]

BOYS SF, 1966, QUANTUM THEORY ATOMS, P253

[5]

BROWN LD, UNPUBLISHED RESULTS

[6] LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2 [J].

EDMISTON, C ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S097-+

[7] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&

[8] LOCALIZED PI-ORBITALS, PAULING BOND ORDERS, AND ORIGIN OF AROMATIC STABILITY [J].

ENGLAND, W ;

RUEDENBE.K .

THEORETICA CHIMICA ACTA, 1971, 22 (02) :196-&

[9]

ENGLAND W, 1971, FORTSCHR CHEM FORSCH, V23, P31

[10] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].

FOSTER, JM ;

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302

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