Using reactivity indicators instead of the electron density to describe Coulomb systems

被引：30

作者：

Ayers, Paul W. ^{[1
]}

机构：

[1] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 438卷 / 1-3期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1016/j.cplett.2007.02.070

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

d It is shown that the Fukui function, local softness, softness kernel, and the electrostatic potential are all capable of fully describing every property of a Coulomb system. This gives a new and fundamental insight into these reactivity indicators, and extends recent work on the shape function and the local temperature. (c) 2007 Published by Elsevier B.V. .

引用

页码：148 / 152

页数：5

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