From owner-chemistry&$at$&ccl.net Fri May  7 12:25:00 2010
From: "Sanjay Bharathwaj computationalchemist.:.gmail.com" <owner-chemistry a server.ccl.net>
To: CCL
Subject: CCL: Method for Hydrogen Bonding
Message-Id: <-41815-100506124958-20909-r/QrF3YEqxwUle6vJ3GFsg a server.ccl.net>
X-Original-From: Sanjay Bharathwaj <computationalchemist*gmail.com>
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Date: Thu, 6 May 2010 11:46:55 -0400
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Sent to CCL by: Sanjay Bharathwaj [computationalchemist%x%gmail.com]
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Dear Friends,

Could you please let me know the methods
either HF, DFT (if so which functional) that helps
me to study the hydrogen bonded interaction.

I find from literatures, that MP2/Lanl2dz provides
the best.But i think it takes me long time for my system.
In this regard, could you please let me know any other
methods (computationally cheap) that help me to
solve the problem.

best regards,
Sanjay

-- 
Regards,
Dr. Sanjay Bharathwaj Kumar,
Dharmendra Institute of Technology,
Andhra pradhesh,
India.

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Dear Friends,<div><br></div><div>Could you please let me know the methods</=
div><div>either HF, DFT (if so which functional) that helps</div><div>me to=
 study the hydrogen bonded interaction.</div><div><br></div><div>I find fro=
m literatures, that MP2/Lanl2dz provides</div>
<div>the best.But i think it takes me long time for my system.</div><div>In=
 this regard, could you please let me know any other</div><div>methods (com=
putationally cheap) that help me to</div><div>solve the problem.</div><div>
<br></div><div>best regards,</div><div>Sanjay</div><div><br></div><div>-- <=
br>Regards,<br>Dr. Sanjay Bharathwaj Kumar,<br>Dharmendra Institute of Tech=
nology,<br>Andhra pradhesh,</div><div>India.<br>
</div>

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