A NEW LOOK AT ELECTRON LOCALIZATION

被引：613
作者：
SAVIN, A
BECKE, AD
FLAD, J
NESPER, R
PREUSS, H
VONSCHNERING, HG
机构：
[1] UNIV STUTTGART, INST THEORET CHEM, W-7000 STUTTGART 80, GERMANY
[2] QUEENS UNIV, DEPT CHEM, KINGSTON K7L 3N6, ONTARIO, CANADA
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 1991年 / 30卷 / 04期
关键词：
D O I：
10.1002/anie.199104091
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Bonds and lone electron pairs can be made “visible” when the electron density distribution is used to calculate the electron localization function (ELF). This paper presents a computer‐graphics image of ELF in colors which represent the extent of the localization (at the right a black‐and‐white picture of N2). (Figure Presented.) Copyright © 1991 by VCH Verlagsgesellschaft mbH, Germany
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页码：409 / 412
页数：4
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