ARE BADER ELECTRON POPULATIONS ATOMIC SIZE-DEPENDENT

被引：25

作者：

GATTI, C ^{[1
]}

FANTUCCI, P ^{[1
]}

机构：

[1] CTR CNR,DIPARTIMENTO CHIM GEN & INORGAN,I-20133 MILAN,ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 45期

关键词：

D O I：

10.1021/j100147a021

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：

Model calculations show that variations of the atomic charges computed according to Bader's procedure closely follow the modifications of the physical model for the interaction between two atoms, Calculations for the He-Ar system confirm that Bader electronic populations do not depend on atomic size.

引用

页码：11677 / 11680

页数：4

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