MESQUAC - MIXED ELECTROSTATIC-QUANTUM CHEMICAL APPROACH TO THE DESCRIPTION OF LARGE COMPLEXES

被引：21

作者：

RODE, BM

REIBNEGGER, GJ

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1979年 / 75卷

关键词：

D O I：

10.1039/f29797500178

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：178 / 183

页数：6

共 11 条

[1]

[Anonymous], 1973, ANGEW CHEM, V85, P551

[2] SCF-MO-LCGO STUDIES ON HYDROGEN BONDING - WATER DIMER [J].

DIERCKSEN, GH .

THEORETICA CHIMICA ACTA, 1971, 21 (04) :335-+

[3] SCF-MO LCGO STUDIES ON HYDRATION OF IONS - SYSTEMS H+H2O, LI+H2O, AND NA+H2O [J].

DIERCKSEN, GH ;

KRAEMER, WP .

THEORETICA CHIMICA ACTA, 1972, 23 (04) :387-+

[4] HYDRATION OF ALKALI IONS IN GAS PHASE - ENTHALPIES AND ENTROPIES OF REACTIONS M+(H2O)N-1+H2O = M+(H2O)N [J].

DZIDIC, I ;

KEBARLE, P .

JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07) :1466-&

[5] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .8. SMALL CLUSTERS OF WATER MOLECULES SURROUNDING LI+, NA+, K+, F-, AND CL- IONS [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :799-815

[6] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .2. ENERGY SURFACES FOR A WATER MOLECULE IN FIELD OF A SODIUM OR POTASSIUM CATION [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) :1689-1699

[7] STUDIES OF CATION HYDRATION [J].

KOLLMAN, PA ;

KUNTZ, ID .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) :9236-9237

[8] SIMPLE MODEL OF SOLVATION WITHIN MOLECULAR-ORBITAL THEORY [J].

NOELL, JO ;

MOROKUMA, K .

CHEMICAL PHYSICS LETTERS, 1975, 36 (04) :465-469

[9] QUANTUM CHEMICAL TREATMENT OF CATION-AMIDE SOLVATE COMPLEXES - METHODICAL COMPARISON OF AB-INITIO CALCULATIONS WITH A MINIMAL BASIS SET AND SEMIEMPIRICAL RESULTS [J].

RODE, BM .

MONATSHEFTE FUR CHEMIE, 1975, 106 (02) :339-346

[10] APPLICATION OF MIXED ELECTROSTATIC-QUANTUM CHEMICAL-MODELS FOR DESCRIPTION OF METAL-COMPLEXES WITH AMIDES [J].

RODE, BM ;

FUSSENEGGER, R .

MONATSHEFTE FUR CHEMIE, 1977, 108 (03) :703-712

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