APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .1. ANALYSIS OF POSSIBLE INTEGRAL APPROXIMATIONS

被引：93

作者：

BROWN, RD

ROBY, KR

机构：

来源：

THEORETICA CHIMICA ACTA | 1970年 / 16卷 / 03期

关键词：

D O I：

10.1007/BF00527564

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：175 / +

共 42 条

[1] Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion
Brown, R. D.
James, B. H.
O'Dwyer, M. F.
Roby, K. R.
[J]. CHEMICAL PHYSICS LETTERS, 1967, 1 (10) : 459 - 464
[2] EFFECT OF IONIC LATTICES ON ELECTRONIC STRUCTURES OF POLYATOMIC IONS .2. SULPHATE
BROWN, RD
ODWYER, MF
ROBY, KR
[J]. THEORETICA CHIMICA ACTA, 1968, 11 (01): : 1 - &
[3] VESCF-MO STUDIES OF MOLECULES CONTAINING ATOMS FROM SECOND ROW OF PERIODIC TABLE .I. GENERAL PROBLEM
BROWN, RD
PEEL, JB
[J]. AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) : 2589 - &
[4] VESCF-MO STUDIES OF MOLECULES CONTAINING ATOMS FROM SECOND ROW OF PERIODIC TABLE .3. PROPERTIES OF TRIGONAL-BIPYRAMIDAL MOLECULES PHOSPHORUS PENTAFLUORIDE SULPHUR TETRAFLUORIDE AND CHLORINE TRIFLUORIDE FOR A MINIMAL BASIS SET INCLUDING 3D-ORBITALS
BROWN, RD
PEEL, JB
[J]. AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) : 2617 - &
[5] VESCF-MO STUDIES OF MOLECULES CONTAINING ATOMS FROM SECOND ROW OF PERIODIC TABLE .2. PROPERTIES OF FLUORIDES OF SILICON PHOSPHORUS SULPHUR AND CHLORINE FOR A MINIMAL BASIS SET EXCLUDING 3D-ORBITALS
BROWN, RD
PEEL, JB
[J]. AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) : 2605 - &
[6] Approximation methods for all-electron calculations. The formaldehyde molecule
Cook, D. B.
McWeeny, R.
[J]. CHEMICAL PHYSICS LETTERS, 1968, 1 (12) : 588 - 590
[7] APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES
COOK, DB
HOLLIS, PC
MCWEENY, R
[J]. MOLECULAR PHYSICS, 1967, 13 (06) : 553 - &
[8] ON APPLICATION OF ZERO DIFFERENTIAL OVERLAP METHODS TO COMPLEX MOLECULES
DAHL, JP
[J]. ACTA CHEMICA SCANDINAVICA, 1967, 21 (05): : 1244 - &
[9] GROUND STATES OF SIGMA-BONDED MOLECULES .I. A SEMIEMPIRICAL SCF MO TREATMENT OF HYDROCARBONS
DEWAR, MJS
KLOPMAN, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (13) : 3089 - &
[10] APPROXIMATE SELF-CONSISTENT FIELD MOLECULAR ORBITAL CALCULATIONS FOR VALENCE SHELL ELECTRONIC STATES
DIXON, RN
[J]. MOLECULAR PHYSICS, 1967, 12 (01) : 83 - &

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