Re: Ab initio calculation of molecular structure?

Article View: sci.comp-aided

Article #39

#39

From: Dan Drake
Date: Tue, 10 Nov 1992 22:32

15 lines
924 bytes

park@netcom.com (Bill Park) writes:
+ 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?

You might look into HyperChem from Autodesk, Inc.  800-424-9737 for
information.

--
Dan Drake                 In software, the *complete* design *is* the software!
drake@Autodesk.com        --Hugh Lamaster

Technical Details

Message-ID: <17896@autodesk.COM>

Path: arc1-ca.pugleaf.net!sparky!uunet!nntp1.radiomail.net!fernwood!autodesk!drake

References: <1992Nov9.181522.12542@netcom.com+

Show Full Headers

Complete Article Headers

Path: arc1-ca.pugleaf.net!sparky!uunet!nntp1.radiomail.net!fernwood!autodesk!drake
From: drake@Autodesk.COM (Dan Drake)
Newsgroups: sci.comp-aided,sci.math.num-analysis
Subject: Re: Ab initio calculation of molecular structure?
Message-ID: <17896@autodesk.COM>
Date: 10 Nov 92 22:32:54 GMT
References: <1992Nov9.181522.12542@netcom.com+
Followup-To: sci.comp-aided
Organization: Autodesk Inc., Sausalito CA, USA
Lines: 15

Reply to Parent Message