Subject: Re: CCL:volume of molecule

From: "Dr. Bruno Manunza" <[email-masked]>
Date: Sun, 14 Dec 1997 18:21:35 +0100 (NFT)

On Sat, 13 Dec 1997, Pang Siu Kwong wrote:

> How are you?  Do you know how to estimate the volume of molecule if the 
> molecule is assumed to be a hard sphere?  Is there any literature about 
> that?  If the geometry of molecule is known from X-ray crystallography 
> method or ab initio method, is it possible to assume that the radius of 
> hard sphere is equal to the maximum distance between two atoms inside a 
> molecule?  For example, the radius of water molecule is equal to the 
> distance between two hydrogen atoms.  Thank you for your attention.
> 
> Patrick Pang   
> 

Dear Patrick,
	you'll found some useful link to software computing molecular 
volume on our software page at http://antas.agraria.uniss.it
Hope it helps
regards
Bruno 

Dr Bruno Manunza
DISAABA (Dept. of Agricultural Environm. Sci)
University of Sassari
V.le Italia 39
07100 Sassari, ITALY
phone: 39 79 229215
fax:   39 79 229276
e-mail: [email-masked]
e-mail: [email-masked]
e-mail: [email-masked]
web: http://antas.agraria.uniss.it