Subject: atom in molecules

From: "Markus Metz" <[email-masked]>
Date: Fri, 21 Nov 1997 15:57:12 +0000

Hello !

I am using GAUSSIAN 94 to calculate the properties of atoms in molecules (1)
using the SCF density.(keywords: AIM=ALL, DENSITY=LAPLACIAN)
For example the attractors, critical points on attractor interaction lines,
zero flux surfaces, bond paths and the second derivative of the electron
density of cyclopropane were calculated.
What I am interested in are the bent bonds in this molecule.
Does anybody know, how to visualize this data?

Thanks in advance,
					Markus Metz.

(1) R. F. W. Bader, Atoms in Molecules: a quantum theory, Clarendon Press,
    Oxford, 1990.

[email-masked]

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Markus Metz
Universitaet Heidelberg					Tel.: 06221-54-6066
Organ.-Chem. Institut Lehrstuhl III			Fax: 06221-54-4885
Im Neuenheimer Feld 270
69120 Heidelberg
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