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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[21]   QUANTUM FLUID-DYNAMICS OF MANY-ELECTRON SYSTEMS IN 3-DIMENSIONAL SPACE [J].
GHOSH, SK ;
DEB, BM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (05) :871-888
[22]   STUDY OF THE KINETIC-ENERGY DENSITY FUNCTIONAL IN THE LOCALLY LINEAR POTENTIAL APPROXIMATION [J].
GHOSH, SK ;
BALBAS, LC .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (11) :5778-5783
[23]  
Hasegawa A., 1975, PLASMA INSTABILITIES
[24]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[25]  
HUBER KP, 1979, MOL SPECTRA MOL STRU, V4, P460
[26]  
HUHEEY JE, 1983, INORG CHEM
[27]  
Jorgensen, 1987, ELECTRONEGATIVITY ST
[28]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[29]   ELECTRONIC STATES OF CH AND NH+ [J].
LIU, HPD ;
VERHAEGEN, G .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) :735-+
[30]  
MORSE PM, 1975, METHODS THEORETICAL, P201
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