From pang@iris.chem.cuhk.edu.hk  Sat Dec 13 00:39:57 1997
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Date: Sat, 13 Dec 1997 13:36:43 +0800 (HKT)
From: Pang Siu Kwong <pang@iris.chem.cuhk.edu.hk>
To: chemistry@www.ccl.net
Subject: volume of molecule
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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   

From shaomeng@helix.nih.gov  Sat Dec 13 15:40:05 1997
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Date: Sat, 13 Dec 1997 15:20:14 -0500 (EST)
From: Shaomeng Wang <shaomeng@helix.nih.gov>
To: chemistry@www.ccl.net
cc: Shaomeng Wang <shaomeng@helix.nih.gov>
Subject: MD or MC Simulations of Crystallization of Liquid
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Dear Colleagues,

Does anyone know any references on the studies of crystallization of
liquids via MD or MC simulations, besides the paper by Drs. Igor M.
Svishchev and Peter M. Kusalic (Phys. Rev. Lett. 73, 975-978, 1994,
Crystallization of liquid water in a molecular dynamics simulation)?

I appreciate any information on this topic. 

Shaomeng Wang

Georgetown University Medical Center