CCL: Dipole derivative unit vector
- From: George Fitzgerald
<George.Fitzgerald*o*accelrys.com>
- Subject: CCL: Dipole derivative unit vector
- Date: Fri, 6 Dec 2013 07:26:50 -0800
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