论文信息 - Update of the AIM2000‐Program for atoms in molecules

Update of the AIM2000‐Program for atoms in molecules

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

Friedrich Biegler-König | Jens Schönbohm | F. Biegler-König | Jens Schönbohm

[1] R. Bader. Atoms in molecules : a quantum theory , 1990 .

[2] Xavier Fradera,et al. The Lewis Model and Beyond , 1999 .

[3] Calculation of atomic integration data , 2000 .

[4] Mark S. Gordon,et al. General atomic and molecular electronic structure system , 1993, J. Comput. Chem..