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Keywords:

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

Abstract

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. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 1489–1494, 2002