From owner-chemistry@ccl.net Sun Dec 25 19:55:00 2005 From: "Delwar Hossain hossaind2004**yahoo.com" To: CCL Subject: CCL:G: Calculation of total magnetic moment Message-Id: <-30393-051225184335-23465-Je68ZFlBuSTYPl7uu8GMdQ|server.ccl.net> X-Original-From: Delwar Hossain Content-Transfer-Encoding: 8bit Content-Type: multipart/alternative; boundary="0-1923702366-1135550605=:73771" Date: Sun, 25 Dec 2005 14:43:25 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: Delwar Hossain [hossaind2004 * yahoo.com] --0-1923702366-1135550605=:73771 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear CCLers, I am interested to calculate total magnetic moment of transition metal droped medium size silicon cluster. I did my calculation on G03 at B3LYP/6-311+G*. However, G03 has no option to calculate total magnetic moment. My questions is: Is there any freee software or program for calculating total magnetic moment using the optimized geometry from G03? I therefore request you to help me sending your comments and advice. Thank you in advance. With regards, Sincerely yours, Delwar Hossain Mississippi State University --------------------------------- Yahoo! DSL Something to write home about. Just $16.99/mo. or less --0-1923702366-1135550605=:73771 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: 8bit
Dear CCLers,
I am interested to calculate total magnetic moment of transition metal droped medium size silicon cluster. I did my calculation on G03 at B3LYP/6-311+G*. However, G03 has no option to calculate total magnetic moment.
My questions is:
 Is there any freee software or program for calculating total magnetic moment using the optimized geometry from G03?
I therefore request you to help me sending your comments and advice.
Thank you in advance.
With regards,
Sincerely yours,
Delwar Hossain
Mississippi State University

Yahoo! DSL Something to write home about. Just $16.99/mo. or less --0-1923702366-1135550605=:73771--