From owner-chemistry@ccl.net Wed Apr 15 01:36:00 2009
From: "Chun-Yi Sung juneyi1*|*yahoo.com.tw" <owner-chemistry~~server.ccl.net>
To: CCL
Subject: CCL:G: A way to quantify interatomic interactions
Message-Id: <-39079-090415013204-19484-4Rv8/p1PN7vBl3MeU3w+/A~~server.ccl.net>
X-Original-From: "Chun-Yi  Sung" <juneyi1|-|yahoo.com.tw>
Date: Wed, 15 Apr 2009 01:32:01 -0400


Sent to CCL by: "Chun-Yi  Sung" [juneyi1---yahoo.com.tw]
Dear CCLers,

     I am studying the adsorption of some organic molecules on the zeolite surface using DFT in G03. I 
wonder if there is a way that I can quantify each interatomic interaction between the adsorbate and 
the surface (not necessarily hydrogen bonding interactions), say, some population analysis ?

thanks

Chun-Yi