LOCALIZED MOLECULAR-ORBITALS FOR MULTIPLE BONDS IN THE ZDO APPROXIMATION - THE SIGMA-PI VS BANANA BONDS DILEMMA

被引：12

作者：

PANIAGUA, JC ^{[1
]}

MOYANO, A ^{[1
]}

TEL, LM ^{[1
]}

机构：

[1] UNIV SALAMANCA,FAC CIENCIAS,DEPT QUIM FIS,SALAMANCA,SPAIN

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1984年 / 26卷 / 03期

关键词：

D O I：

10.1002/qua.560260307

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

收藏

页码：383 / 403

页数：21

相关论文

共 19 条

[1] Boys S. F., 1966, QUANTUM THEORY ATOMS
[2] CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
BOYS, SF
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 296 - 299
[3] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
THIEL, W
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) : 4899 - 4907
[4] LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2
EDMISTON, C
RUEDENBERG, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S097 - +
[5] LOCALIZED ATOMIC AND MOLECULAR ORBITALS
EDMISTON, C
RUEDENBERG, K
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 457 - &
[6] ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS
ENGLAND, W
GORDON, MS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (24) : 6864 - &
[7] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE
FOSTER, JM
BOYS, SF
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 300 - 302
[8] HART RR, 1965, J CHEM PHYS, V43, pS115
[9] LOCALIZED ORBITALS FOR NH3 C2H4 AND C2H2
KALDOR, U
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) : 1981 - &
[10] LOCALIZED MOLECULAR-ORBITALS FOR POLYATOMIC-MOLECULES .1. COMPARISON OF EDMISTON-RUEDENBERG AND BOYS LOCALIZATION METHODS
KLEIER, DA
HALGREN, TA
HALL, JH
LIPSCOMB, WN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (10) : 3905 - 3919