Subject: co2-potential-parameters

From: [email-masked] (Karsten Kemeter)
Date: Mon, 7 Mar 1994 19:11:19 +0100 (MET)

Dear Netters,

for some MD_simulations we would like to have potentials for CO2.
I just know a work of Singer, Singer, Taylor from 1977 (Mol.Phys. 33),
but it is not that good in reproducing thermodynamik properties.
Does anybody know a good database for that or even a reference?

		Many thanks in advance

 				        Karsten Kemeter

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