From owner-chemistry@ccl.net Tue Jun 4 12:34:01 2013 From: "Jim Kress ccl_nospam[a]kressworks.com" To: CCL Subject: CCL:G: How to calculate phosphorescence spectrum? Message-Id: <-48787-130604121852-3631-SWcFSSR49bWxH1RBl09DYQ a server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Tue, 4 Jun 2013 12:19:01 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam:_:kressworks.com] Personally, I'd used ORCA. It's designed for this purpose. http://cec.mpg.de/forum/ Jim -----Original Message----- > From: owner-chemistry+ccl_nospam==kressworks.com^ccl.net [mailto:owner-chemistry+ccl_nospam==kressworks.com^ccl.net] On Behalf Of Ramamoorthi Balajangamanahalli Kasinathan ramsky08*gmail.com Sent: Tuesday, June 04, 2013 6:04 AM To: Kress, Jim Subject: CCL:G: How to calculate phosphorescence spectrum? Sent to CCL by: "Ramamoorthi Balajangamanahalli Kasinathan" [ramsky08_-_gmail.com] Dear all, My project involves Rhenium complexes. I am using Gaussian 09 Software for excited state calculation. I got the absorption spectrum successfully. I would like to know how to calculate phosphorescence properties of the complexes. Can you please suggest me how to calculate phosphorescence spectra. Your help will be highly appreciated. Thanks in advance. Yours Sincerely, Ramamoorthi B K ramsky08%a%gmail.comhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt