Subject: Re: CCL:semantics: molecular modelling

From: "Jens Spanget-Larsen" <[email-masked]>
Date: Thu, 19 Jun 1997 10:07:06 +0100

Kenneth:

This is a never ending story!

> Jens, your definition of computational chemistry is also too limited. I
> regard the use of artificial intelligence in chemistry as computational
> chemistry as well. A more appropriate definition could be:
> 
>   Computational chemistry is the application of any computational method
>   in chemistry. Computational method is understood to be any algorithm
>   implemented on a computer.

I agree that artificial intelligence and probably stille more aspects 
should be considered, but I disagree with your definition in so far as 
it is limited to 'any  algoritm implemented on a computer'.  
Computational chemistry started long before the invention of any 
mechanical or electronic computer; computations can be carried out 
with pencil and paper, or even in your mind!

Jens >--<

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JENS SPANGET-LARSEN  
Department of Chemistry      Phone:  +45 46757781 + 2710
Roskilde University (RUC)    Fax:    +45 46757721 
P.O.Box 260                  E-Mail: [email-masked]
DK-4000 Roskilde, Denmark    http://frederik.ruc.dk/dis/chem/psos
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