Subject: rotational barrier

From: "Reynier Suardiaz del Río" <[email-masked]>
Date: Sun, 3 Dec 2000 12:35:39 +0000

First i want to apologize me for the previous message that not had 
the required clarity.

 I'm trying to build the parameters for a MD simulation of an 
epoxidic sistem but a have not found any experimental data of the 
rotational barrier for the dihedral angle formed for the carbons 1,2,3 
and any hydrogen bonded to carbon 3 in the 1,2-epoxypropane.

 I'll be grateful of any suggestion.

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 Reynier Suardiaz del Rio
 Department of Physical Chemistry
 Chemistry Faculty
 University of Havana
 email: [email-masked], [email-masked]
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