ELECTRONEGATIVITY DYNAMICS IN A CHEMICAL-REACTION

被引：25
作者：
CHATTARAJ, PK
NATH, S
机构：
[1] Department of Chemistry, Indian Institute of Technology, Kharagpur
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1994年 / 49卷 / 05期
关键词：
D O I：
10.1002/qua.560490513
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：
A generalized nonlinear Schrodinger equation has been solved in order to understand how electronegativity and the covalent radius of an atom vary during a chemical reaction. The chemical reaction is modeled as an atom in an external field and also as an atom colliding with an ion. Temporal evolution of charge density, current density, and effective potential has also been studied for a better understanding of the process. (C) 1994 John Wiley and Sons, Inc.
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页码：705 / 725
页数：21
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