From owner-chemistry@ccl.net Tue May  7 08:41:00 2013
From: "Antarip Halder antarip.halder,gmail.com" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL:G: Dipole moment of charged species in Gaussian
Message-Id: <-48650-130507015057-5383-Rr4o5aWi4ZjsqLT0dVNTgw++server.ccl.net>
X-Original-From: Antarip Halder <antarip.halder * gmail.com>
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Date: Tue, 7 May 2013 11:20:29 +0530
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Sent to CCL by: Antarip Halder [antarip.halder]|[gmail.com]
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Dear All,

I am trying to calculate the dipole moment of charged species using
Gaussian and I have to compare dipole moments of different singly charged
species. I am aware of the fact that dipole moment for the molecular
species which have non zero charge is not defined. The comparison can be
performed only in the case when the position of coordinate origin is not
changed.

Can any one tell me how can I define the origin to calculate the dipole
moment.

Thanks in advance.
Antarip Halder
MS by Research
Center for Computational Natural Sciences and Bioinformatics
International Institute of Information Technology, Hyderabad
Andhra Pradesh, India
-- 
If you think you can, you are right.



-- 
If you think you can, you are right.

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<div dir=3D"ltr">Dear All,<br><div class=3D"gmail_quote"><div dir=3D"ltr"><=
div><br>I am trying to calculate the dipole moment of charged species using=
 Gaussian and I have to compare dipole moments of different singly charged =
species. I am aware of the fact that d<span style=3D"font-family:arial,sans=
-serif;font-size:13px">ipole moment for the molecular species which have no=
n zero charge is not defined. The comparison can be performed only in the c=
ase when the position of coordinate origin is not changed.</span></div>


<div><br></div><div>Can any one tell me how can I define the origin to calc=
ulate the dipole moment.=A0</div><div><br></div><div>Thanks in advance.</di=
v><span class=3D"HOEnZb"><font color=3D"#888888"><div><div>Antarip Halder</=
div>

<div>MS by Research</div><div>
Center for Computational Natural Sciences and Bioinformatics</div><div>Inte=
rnational Institute of Information Technology, Hyderabad</div><div>Andhra P=
radesh, India</div>-- <br>If you think you can, you are right.<br>

</div></font></span></div>
</div><br><br clear=3D"all"><div><br></div>-- <br>If you think you can, you=
 are right.<br>
</div>

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