AW: volume of molecule

[Pero Jurisic <Jurisic ^at^ akcomba.oci.uni-heidelberg.de>]

 > ----------
 > Von: 	Dr. Bruno Manunza[SMTP:bruno ^at^ antas.agraria.uniss.it]
 > Gesendet: 	Sunday, December 14, 1997 6:21 PM
 > An: 	Pang Siu Kwong
 > Cc: 	chemistry ^at^ www.ccl.net
 > Betreff: 	CCL:volume of molecule
 >
 >
 >
 >
 > 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: bruno ^at^ antas.agraria.uniss.it
 > e-mail: bruno ^at^ tharros.dipchim.uniss.it
 > e-mail: gx6bot81 ^at^ cray.cineca.it
 > web: http://antas.agraria.uniss.it
 >
 >
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 > -- Original Sender Envelope Address: bruno ^at^ antas.agraria.uniss.it
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 >
 > Dear Patrick,
 > 	there is also another interesting side for you which contains
 > a program for computing molecular volumes. It works on unix and on
 > windows. It`s called STERIC and you can download it from
 >     ftp://hobbes.gh.wits.ac.za/pub/steric
 > regards
 > Pero
 >
 > Jurisic Pero
 > University of Heidelberg
 > Germany
 >