Subject: How to determine if a molecule is "stable"?

From: [email-masked] (Jeffrey L. Nauss)
Date: Fri, 12 Jan 1996 13:49:21 -0500

A researcher here recently asked me to perform a vibrational analysis using
Biosym's Dmol on a small molecule.  Then, he asked me if the molecule is
"stable", i.e. can it be synthesized.

My immediate answer is that using just minimization techniques one cannot
determine if a molecule will be "stable."  Perhaps more sophisticated ab inito
calculations can answer that question but I am unfamiliar with those type of
calculations.

So I pose the question to the group:  how can one determine (or rather predict)
that a given molecule can be made and will be stable?

-- 
						Jeff Nauss

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*  UU    UU             Jeffrey L. Nauss, PhD                              *
*  UU    UU             Director, Molecular Modeling Services              *
*  UU    UU             Department of Chemistry                            *
*  UU    UU CCCCCCC     University of Cincinnati                           *
*   UU  UU CCCCCCCC     Cincinnati, OH 45221-0172                          *
*    UUUU CC                                                               *
*         CC            Telephone: 513-556-0148    Fax: 513-556-9239       *
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*          CCCCCCCC     e-mail: [email-masked]                       *
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