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.

引用

页码：705 / 725

页数：21

共 50 条

[1] RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS OF SPIN ORBIT SPLITTINGS IN DIATOMIC HYDRIDES
BAECK, KK
LEE, YS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (08) : 5775 - 5782
[2] BRUAL G, 1978, J CHEM PHYS, V69, P1177, DOI 10.1063/1.436705
[3] QUANTUM FLUID-DYNAMICS OF A CLASSICALLY CHAOTIC OSCILLATOR
CHATTARAJ, PK
SENGUPTA, S
[J]. PHYSICS LETTERS A, 1993, 181 (03) : 225 - 231
[4] QUANTUM FLUID DENSITY FUNCTIONAL THEORY OF HELIUM ATOM IN AN INTENSE LASER FIELD
CHATTARAJ, PK
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 41 (06) : 845 - 859
[5] CHATTARAJ PK, 1991, CURR SCI INDIA, V61, P391
[6] CHATTARAJ PK, 1992, J INDIAN CHEM SOC, V69, P173
[7] STABILITY ANALYSIS OF FINITE-DIFFERENCE SCHEMES FOR QUANTUM-MECHANICAL EQUATIONS OF MOTION
CHATTARAJ, PK
KONERU, SR
DEB, BM
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1987, 72 (02) : 504 - 512
[8] CHATTARAJ PK, 1990, RES REP PHY, P172
[9] CHATTARAJ PK, P IND ACAD
[10] CHATTARAJ PK, CHEM PHYS L

← 1 2 3 4 5 →