HARDNESS DYNAMICS IN A CHEMICAL-REACTION

被引：29

作者：

CHATTARAJ, PK

NATH, S

机构：

[1] Department of Chemistry, Indian Institute of Technology, Kharagpur

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 217卷 / 03期

关键词：

D O I：

10.1016/0009-2614(93)E1350-P

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：

Temporal evolution of local and global hardness during a chemical reaction modelled as a collision process between a nitrogen atom and a proton has been studied within a quantum fluid density functional framework. Variation of local hardness is similar to that of charge density. Time dependence of global hardness seems to be governed by a dynamic variant of the maximum hardness principle.

引用

页码：342 / 348

页数：7

共 42 条

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