Ab initio calculation of molecular structure?

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Article #40

#40

From: Bill Park
Date: Mon, 09 Nov 1992 18:15

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1) How do you calculate the potential energy of a given molecular
model ab initio?

2) How do you compute a graphic representation of the electron clouds
in a molecule?

3) What software is available to do these things on a workstation?

Thanks,
Bill Park
-- 
Grandpaw Bill's High Technology Consulting & Live Bait, Inc.

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Message-ID: <1992Nov9.181522.12542@netcom.com>

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Path: arc1-ca.pugleaf.net!sparky!uunet!ogicse!decwrl!csus.edu!netcom.com!park
From: park@netcom.com (Bill Park)
Newsgroups: sci.comp-aided,sci.math.num-analysis,sci.research,sci.engr.biomed
Subject: Ab initio calculation of molecular structure?
Summary: How do you do it?
Keywords: ab intio calculation, physical chemistry, molecular modeling
Message-ID: <1992Nov9.181522.12542@netcom.com>
Date: 9 Nov 92 18:15:22 GMT
Article-I.D.: netcom.1992Nov9.181522.12542
Followup-To: sci.comp-aided
Organization: Netcom - Online Communication Services  (408 241-9760 guest)
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