ON THE CONCEPT OF LOCAL HARDNESS IN CHEMISTRY

被引：293

作者：

BERKOWITZ, M ^{[1
]}

GHOSH, SK ^{[1
]}

PARR, RG ^{[1
]}

机构：

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

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1985年 / 107卷 / 24期

关键词：

D O I：

10.1021/ja00310a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：6811 / 6814

页数：4

共 18 条

[1] BONDED AND NONBONDED CHARGE CONCENTRATIONS AND THEIR RELATION TO MOLECULAR-GEOMETRY AND REACTIVITY
BADER, RFW
MACDOUGALL, PJ
LAU, CDH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (06) : 1594 - 1605
[2] ROLE OF FRONTIER ORBITALS IN CHEMICAL-REACTIONS
FUKUI, K
[J]. SCIENCE, 1982, 218 (4574) : 747 - 754
[3] FUKUI K, 1973, THEORY ORIENTATION S, P134
[4] A CLASSICAL FLUID-LIKE APPROACH TO THE DENSITY-FUNCTIONAL FORMALISM OF MANY-ELECTRON SYSTEMS
GHOSH, SK
BERKOWITZ, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) : 2976 - 2983
[5] ELECTRONEGATIVITY
ICZKOWSKI, R
MARGRAVE, JL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (17) : 3547 - &
[6] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
KOHN, W
SHAM, LJ
[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
[7] HELLMANN-FEYNMAN, VIRIAL, AND SCALING REQUISITES FOR THE EXACT UNIVERSAL DENSITY FUNCTIONALS - SHAPE OF THE CORRELATION POTENTIAL AND DIAMAGNETIC SUSCEPTIBILITY FOR ATOMS
LEVY, M
PERDEW, JP
[J]. PHYSICAL REVIEW A, 1985, 32 (04): : 2010 - 2021
[8] A STUDY OF ELECTRONEGATIVITY EQUALIZATION
NALEWAJSKI, RF
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (13) : 2831 - 2837
[9] ELECTROSTATIC EFFECTS IN INTERACTIONS BETWEEN HARD (SOFT) ACIDS AND BASES
NALEWAJSKI, RF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (04) : 944 - 945
[10] ABSOLUTE HARDNESS - COMPANION PARAMETER TO ABSOLUTE ELECTRONEGATIVITY
PARR, RG
PEARSON, RG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (26) : 7512 - 7516

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