Update of the AIM2000-program for atoms in molecules

被引：655

作者：

Biegler-König, F ^{[1
]}

Schönbohm, J ^{[1
]}

机构：

[1] Fachhsch Bielefeld, Fachbereich Math & Tech, D-33609 Bielefeld, Germany

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 2002年 / 23卷 / 15期

关键词：

atoms in molecules; atomic basins; interatomic surfaces; average properties; molecular topology;

D O I：

10.1002/jcc.10085

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The second version of the program package AIM2000 is presented. AIM2000 makes use of the well established theory of atoms in molecules. AIM2000 analyzes the molecular structure and calculates properties of atoms in molecules as well as properties of interatomic surfaces. The program has an interactive, context-sensitive help component and extensive 2D and 3D visualization components. (C) 2002 Wiley Periodicals, Inc.

引用

页码：1489 / 1494

页数：6

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