Subject: What is Molecular Modeling ?

From: Frederick Bennett <[email-masked]>
Date: Fri, 04 Nov 1994 18:51:02 +0100

Hello again,
            the subject of this posting may sound a little ridiculous at
first thought, but what exactly what is molecular modeling? Ever since Tim
Clark announced the conception of the new journal, " Journal of Molecular
Modeling", I have had this discussion with several people. 

 I know that most people would have no problem putting problems involving
very large systems being studied by empirically based theoretical methods
and such in the molecular modeling basket, but what about the other end ?
For example, are ab initio studies on smaller systems (say > 20 atoms)
regarded as molecular modeling. For that matter, would a diatomic be
eligable for the subject of molecular modeling after all it is a molecule?

 I am not trying to play semantics, I actually considered making a
contribution to J. Mol. Mod. but then when I thought about it a little more
I just wondered if my paper fell within the subject boundaries.

 I look forward to any enlightenment on this subject.

Regards

Frederick Bennett.

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                    Institute for Physical Chemistry
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