DEVELOPMENT OF QUANTUM-MECHANICAL SOLVENT EFFECT MODELS - MICROSCOPIC ELECTROSTATIC CONTRIBUTIONS

被引：34

作者：

MCCREERY, JH ^{[1
]}

CHRISTOFFERSEN, RE ^{[1
]}

HALL, GG ^{[1
]}

机构：

[1] UNIV KANSAS, DEPT CHEM, LAWRENCE, KS 66045 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 23期

关键词：

D O I：

10.1021/ja00439a016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：7198 / 7202

页数：5

共 26 条

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[3] THEORETICAL INVESTIGATIONS ON SOLVATION PROCESS .1. A SIMPLE MODEL FOR DIMERIC WATER ASSOCIATE
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[J]. THEORETICA CHIMICA ACTA, 1971, 20 (04): : 331 - &
[4] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - NITROXIDE SPIN LABEL CHARACTERIZATIONS
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1347 - 1354
[5] MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .12. AMIDE HYDROGEN-BONDING IN FORMAMIDE-WATER AND FORMAMIDE-FORMALDEHYDE SYSTEMS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) : 1961 - 1970
[6] A NON-EMPIRICAL STUDY OF HYDROGEN BONDING IN DIMER OF FORMAMIDE
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[J]. THEORETICA CHIMICA ACTA, 1970, 17 (02): : 109 - &
[7] GRAHN R, 1962, ARK FYS, V21, P13
[8] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .8. A METHOD OF CALCULATING IONIZATION POTENTIALS
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[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 205 (1083): : 541 - 552
[9] POINT-CHARGE MODELS FOR MOLECULAR PROPERTIES
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[J]. CHEMICAL PHYSICS LETTERS, 1973, 20 (06) : 501 - 503
[10] Huron MJ, 1971, CHEM PHYS LETT, V9, P194, DOI 10.1016/0009-2614(71)85027-3

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