From owner-chemistry /at\ccl.net Thu Nov  3 17:21:00 2011
From: "Sanjay Bharathwaj computationalchemist{:}gmail.com" <owner-chemistry*o*server.ccl.net>
To: CCL
Subject: CCL: Manual Work out
Message-Id: <-45819-111103171606-5084-6lv08iB4xBHOXr6e1xueBw*o*server.ccl.net>
X-Original-From: Sanjay Bharathwaj <computationalchemist[-]gmail.com>
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Date: Thu, 3 Nov 2011 22:15:58 +0100
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Sent to CCL by: Sanjay Bharathwaj [computationalchemist-,-gmail.com]
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Dear Folks,

I am very new to computational chemistry,
and i am interested to know, how the programme works.

For example, consider a simple H2 molecule.

I wish to work this geometry optimization
in a blackboard and compare my
result with the computer obtained results.

In this regard, i wanted to ask you if any one of you
have done this as a tutorial, and so, would you mind
sharing it with me please.

Best regards,
Sanjay




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

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Dear Folks,<div><br></div><div>I am very new to computational chemistry,</div><div>and i am interested to know, how the programme works.</div><div><br></div><div>For example, consider a simple H2 molecule.</div><div><br></div>
<div>I wish to work this geometry optimization</div><div>in a blackboard and compare my</div><div>result with the computer obtained results.</div><div><br></div><div>In this regard, i wanted to ask you if any one of you</div>
<div>have done this as a tutorial, and so, would you mind</div><div>sharing it with me please.</div><div><br></div><div>Best regards,</div><div>Sanjay</div><div><br></div><div><br></div><div><br clear="all"><div><br></div>
-- <br>Regards,<br>Dr. Sanjay Bharathwaj Kumar,<br>Dharmendra Institute of Technology,<br>India.<br>
</div>

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