ON THE CONCEPT OF LOCAL HARDNESS IN CHEMISTRY

被引：294

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 [J].

BADER, RFW ;

MACDOUGALL, PJ ;

LAU, CDH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (06) :1594-1605

[2] ROLE OF FRONTIER ORBITALS IN CHEMICAL-REACTIONS [J].

FUKUI, K .

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 [J].

GHOSH, SK ;

BERKOWITZ, M .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :2976-2983

[5] ELECTRONEGATIVITY [J].

ICZKOWSKI, R ;

MARGRAVE, JL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (17) :3547-&

[6] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].

KOHN, W ;

SHAM, LJ .

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 [J].

LEVY, M ;

PERDEW, JP .

PHYSICAL REVIEW A, 1985, 32 (04) :2010-2021

[8] A STUDY OF ELECTRONEGATIVITY EQUALIZATION [J].

NALEWAJSKI, RF .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (13) :2831-2837

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

NALEWAJSKI, RF .

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

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

PARR, RG ;

PEARSON, RG .

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

← 1 2 →