Subject: ferric ion

From: "Dr. Daniel Glossman" <[email-masked]>
Date: Wed, 21 Feb 2001 10:59:50 -0800

Dear netters:

Is there anybody who has been succesful in calculating the
the energy of ferric ion (Fe+3) with the CBS-QB3 compound
method?  How the input should be?

Thanks in advance

                                Dr. Daniel Glossman Mitnik

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Dr. Daniel Glossman Mitnik
Centro de Investigacion en Materiales Avanzados (CIMAV)
LAQUICOM - Laboratorio de Química Computacional
Miguel de Cervantes 120
Complejo Industrial Chihuahua
Chihuahua, Chih. 31109
Mexico
Phone: (52) 14 391151      FAX: (52) 14 391112
E-mail: [email-masked]
             [email-masked]
             [email-masked]
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