Solvent effects

Search:

Solvent effects

From: De Vito David (DIP) <david.devito_at_email.domain.hidden>
Date: Sun, 23 Dec 2001 07:25:36 +0100
X-Mailer: Internet Mail Service (5.5.2653.19)

Dear ADF-Users,

I'm trying to do a solvent optimisation of Ir(H2O)63+ ion with ADF 2000 and
I'd like to know if it is possible to do a simple SCRF optimisation or if
there is only the COSMO possibility.

Could someone give me some advices about COSMO jobs ?

I wish a merry Christmas to ADF hard-workers.

Greetings,

                D. De Vito

********************************************************************
  
D. De Vito
Enseignant de Chimie et d'Informatique, Adjoint au Bureau de Gestion
Collège Rousseau
16A, Avenue du Bouchet
Case Postale 216
1211 Genève 28
Suisse
+4122 / 733.71.30 (Collège)
+4122 / 733.71.82 (Fax)

http://lcta.unige.ch/~devito (Page personnelle)
http://wwwedu.ge.ch/po/rousseau (Site officiel du Collège)

********************************************************************
Received on 2002-01-07 12:30:35

This archive was generated by hypermail 2.2.0 : 2006-11-02 07:00:02 CET