CCL:G: Calculating interaction energy/bond energy between atoms in
- From: "Nikhil Maroli" <scinikhil*gmail.com>
- Subject: CCL:G: Calculating interaction energy/bond energy between
atoms in mole:Gauss
- Date: Thu, 4 Aug 2016 11:38:19 -0400
Sent to CCL by: "Nikhil Maroli" [scinikhil[#]gmail.com]
im new to gaussian,
i wanted to calculate the interaction energy between the atoms in the
molecules (image :
I know I can use counterpoise method by making it two fragments ,but how it
is possible for finding interaction energy between the 1-4,5-28,3-8,11-17.
how I make fragments?
Any suggestion will be helpful