From owner-chemistry@ccl.net Fri Dec 6 10:37:01 2013 From: "George Fitzgerald George.Fitzgerald%%accelrys.com" To: CCL Subject: CCL: Dipole derivative unit vector Message-Id: <-49409-131206102709-5784-0O1aswGTABT4NzJmNpMu6A++server.ccl.net> X-Original-From: George Fitzgerald Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Fri, 6 Dec 2013 07:26:50 -0800 MIME-Version: 1.0 Sent to CCL by: George Fitzgerald [George.Fitzgerald(a)accelrys.com] Dipole derivatives are used in the calculation of infra-red intensities. George Fitzgerald, Ph.D. George.Fitzgerald%%accelrys.com +1 858 799 5360 -----Original Message----- > From: owner-chemistry+gfitzgerald==accelrys.com%%ccl.net [mailto:owner-chemistry+gfitzgerald==accelrys.com%%ccl.net] On Behalf Of Gabriela Arias De la Rosa gabriela.arias*yorkmail.cuny.edu Sent: Wednesday, December 04, 2013 12:58 PM To: George Fitzgerald Subject: CCL: Dipole derivative unit vector Sent to CCL by: "Gabriela Arias De la Rosa" [gabriela.arias]=[yorkmail.cuny.edu] Can anyone please tell me what is the purpose of a Dipole derivative unit vector? I am using Gaussview to analyze vibrational modes and I saw that function, but I am not sure for what this function is used.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt