CCL:G: clarification -input methods to study the dispersion interactions



N.K.--
 I suppose a literature search for "(density functional or dft) and
 dispersion" gives too many answers to be useful, but maybe just randomly
 pick a few recent papers and see what density functionals they used?  Don't
 use Google, but something that knows what and and or mean.  Hopefully your
 university has a suitable literature database.
 --David Shobe
     On Friday, June 16, 2017 11:20 AM, KARTHICK Neelamegam Kannan
 nkkarthick1021-#-gmail.com <owner-chemistry]*[ccl.net> wrote:
 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
 -= This is automatically added to each message by the mailing script =- 
         Subscribe/Unsubscribe:
      Job: http://www.ccl.net/jobs