APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .3. COMPARATIVE CALCULATIONS ON SULPHATE ANION

被引：29

作者：

BROWN, RD

ROBY, KR

机构：

来源：

THEORETICA CHIMICA ACTA | 1970年 / 16卷 / 04期

关键词：

D O I：

10.1007/BF00529429

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：278 / +

共 24 条

[1] MOLECULAR ORBITAL ENERGY LEVELS FOR SULFATE ION [J].

BISHOP, DM .

THEORETICA CHIMICA ACTA, 1967, 8 (04) :285-&

[2] Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion [J].

Brown, R. D. ;

James, B. H. ;

O'Dwyer, M. F. ;

Roby, K. R. .

CHEMICAL PHYSICS LETTERS, 1967, 1 (10) :459-464

[3] EFFECT OF IONIC LATTICES ON ELECTRONIC STRUCTURES OF POLYATOMIC IONS .2. SULPHATE [J].

BROWN, RD ;

ODWYER, MF ;

ROBY, KR .

THEORETICA CHIMICA ACTA, 1968, 11 (01) :1-&

[4] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .1. ANALYSIS OF POSSIBLE INTEGRAL APPROXIMATIONS [J].

BROWN, RD ;

ROBY, KR .

THEORETICA CHIMICA ACTA, 1970, 16 (03) :175-+

[5] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .2. METHODS OF EVALUATING BASIC PARAMETERS [J].

BROWN, RD ;

ROBY, KR .

THEORETICA CHIMICA ACTA, 1970, 16 (03) :194-+

[6] VESCF-MO STUDIES OF MOLECULES CONTAINING ATOMS FROM SECOND ROW OF PERIODIC TABLE .I. GENERAL PROBLEM [J].

BROWN, RD ;

PEEL, JB .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) :2589-&

[7] 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 [J].

BROWN, RD ;

PEEL, JB .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) :2617-&

[8] 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 [J].

BROWN, RD ;

PEEL, JB .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (11) :2605-&

[9]

BROWN RL, TO BE PUBLISHED

[10] ATOMIC SHIELDING PARAMETERS [J].

BURNS, G .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) :1521-&

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