A Piece of the Picture-Misunderstanding of Chemical Concepts

被引：85

作者：

Jansen, Martin ^{[1
]}

Wedig, Ulrich ^{[1
]}

机构：

[1] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 52期

关键词：

charge concepts; electronic structure; heuristic concepts; quantum chemistry;

D O I：

10.1002/anie.200803605

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Chemical concepts and quantum mechanics: Heuristic concepts are indispensable tools to give the almost boundless body of knowledge in chemistry an ordered structure and to present it didactically. Many of these concepts were developed without a full understanding of their physical backgrounds. Pulling together results from quantum chemical calculations and conceptual quantities is not always straightforward and requires close consideration of the definition of the quantity in question. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：10026 / 10029

页数：4

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