From owner-chemistry@ccl.net Thu Jan  1 10:00:01 2009
From: "shabbir m agri_chemist_-_yahoo.com" <owner-chemistry-$-server.ccl.net>
To: CCL
Subject: CCL:G: Excited state dipole moment with DFT
Message-Id: <-38382-090101095904-15094-tzrnmJSEzRnRMJhx/8BwIA-$-server.ccl.net>
X-Original-From: "shabbir  m" <agri_chemist{:}yahoo.com>
Date: Thu, 1 Jan 2009 09:59:00 -0500


Sent to CCL by: "shabbir  m" [agri_chemist===yahoo.com]
Hello, CCl users,
Happy new year!

Is it possible in G03 to calculate/estimate the excited dipole moment at DFT
 method by applying some finite field like as in ADF?
 or some other way..?


shabbir
NENU P.R.China


From owner-chemistry@ccl.net Thu Jan  1 14:01:01 2009
From: "Amir Taghavi amirtaghavi * khayam.ut.ac.ir" <owner-chemistry,server.ccl.net>
To: CCL
Subject: CCL: Carbon of Nanotube in Amber and CHARMM ForceField?
Message-Id: <-38383-090101135928-18402-9I3vCGbzv2/m7ptwUsoXwg,server.ccl.net>
X-Original-From: "Amir  Taghavi" <amirtaghavi a khayam.ut.ac.ir>
Date: Thu, 1 Jan 2009 13:59:22 -0500


Sent to CCL by: "Amir  Taghavi" [amirtaghavi__khayam.ut.ac.ir]
Greetings,
Which carbon in Amber and CHARMM ForceField can be selected as the carbon of nanotube?carbon of which molecule can be representative as the carbon of nanotube?