Subject: surface area of positive/negative isopotentials?

From: Karl Irikura <[email-masked]>
Date: Tue, 15 Apr 1997 16:40:57 -0400

Dear colleagues,

Someone here at NIST is interested in calculating the surface area of
electrostatic isopotentials (not density isosurfaces but potential
isosurfaces) generated from HF calculations.  Do you know which
commercial/academic codes can do this?  It doesn't appear that
Gaussian or GAMESS can do it (but hopefully I'm wrong about that).

Thanks for any help!

Karl Irikura

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Dr. Karl K. Irikura
Physical and Chemical Properties Division
National Institute of Standards and Technology
Gaithersburg, MD  20899
voice: 301-975-2510	fax: 301-975-3670
e-mail: [email-masked]
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