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COSMO options

From: Alessandro Bagno <alessandro.bagno_at_email.domain.hidden>
Date: Tue, 14 Dec 2004 09:16:40 +0100

Dear all,
I would like to run COSMO calculations with non-aqueous solvents. Among
the various options, there are two parameters (Cav0=1.321,
Cav1=0.0067639) whose meaning (and associated default values) is not
well documented. I would like to get advice on how to assign these
parameters for solvents other than water, or more generally how to
prepare the input for these solvents.
Thanks in advance,

-- 
Prof. Alessandro Bagno
Dept. Chemistry, University of Padova
via Marzolo 1 - 35131 Padova (Italy)
tel. +39 0498275295; fax 0498275239
http://www.chfi.unipd.it/home/a.bagno
Received on 2004-12-14 09:17:04

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