From owner-chemistry[ AT ]ccl.net Fri Jun 16 09:59:01 2017
From: "KARTHICK Neelamegam Kannan nkkarthick1021-#-gmail.com" <owner-chemistry-$-server.ccl.net>
To: CCL
Subject: CCL:G: clarification -input methods to study the dispersion interactions
Message-Id: <-52849-170616014751-22768-+pru4QUvyy939xBuOOOiAQ-$-server.ccl.net>
X-Original-From: "KARTHICK Neelamegam Kannan" <nkkarthick1021^^^gmail.com>
Date: Fri, 16 Jun 2017 01:47:50 -0400


Sent to CCL by: "KARTHICK Neelamegam Kannan" [nkkarthick1021~~gmail.com]
Hello,
   I am a research scholar working on Chemical Physics. I use Density 
Functional Theory to study the weak molecular interactions. I am using 
Gaussian09W program for simulating the molecular complexes. Can you please 
provide me information regarding the identification of dispersion 
interactions in optimized molecular complexes? Moreover please help me by 
providing the input methods or keywords in Gaussian programme which is 
required for studying the dispersion interactions. Because one of my papers 
got rejected recently, in which i had employed B3LYP methods . The reviewer 
commented me that B3LYP method is not appropriate to study the dispersion 
interactions. So Kindly help me on how to study the dispersion interactions 
in molecular complexes using Gaussian programme. 

Regards,
N. K. Karthick
Research Scholar
Department of Physics
Thiagarajar College
Madurai
Tamilnadu
India
e mail id  nkkarthick1021 at gmail dot com