ELECTRONEGATIVITY EQUALIZATION - APPLICATION AND PARAMETRIZATION

被引：411

作者：

MORTIER, WJ

VANGENECHTEN, K

GASTEIGER, J

机构：

[1] UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27514 USA

[2] TECH UNIV MUNICH, INST ORGAN CHEM, D-8046 GARCHING, FED REP GER

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1985年 / 107卷 / 04期

关键词：

D O I：

10.1021/ja00290a017

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：829 / 835

页数：7

共 41 条

[21]

MARSILI M, 1980, CROAT CHEM ACTA, V53, P601

[22]

MCGLYNN SP, 1972, INTRO APPLIED QUANTU, P106

[23]

MCWEENY RC, 1979, COULSONS VALENCE, P44

[24]

MORTIER WJ, 1978, J CATAL, V55, P13

[25] A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities [J].

Mulliken, Robert S. .

JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (11)

[26] ELECTROSTATIC EFFECTS IN INTERACTIONS BETWEEN HARD (SOFT) ACIDS AND BASES [J].

NALEWAJSKI, RF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (04) :944-945

[27]

Parr R.G., 1982, ELECTRON DISTRIBUTIO, P95

[28] ABSOLUTE HARDNESS - COMPANION PARAMETER TO ABSOLUTE ELECTRONEGATIVITY [J].

PARR, RG ;

PEARSON, RG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (26) :7512-7516

[29] ELECTRONEGATIVITY - DENSITY FUNCTIONAL VIEWPOINT [J].

PARR, RG ;

DONNELLY, RA ;

LEVY, M ;

PALKE, WE .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) :3801-3807

[30] DENSITY FUNCTIONAL THEORY [J].

PARR, RG .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1983, 34 :631-656

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