CCL:G: binding energy with other interactions
- From: "Mr Shabbir" <shabbir~!~nenu.edu.cn>
- Subject: CCL:G: binding energy with other interactions
- Date: Sun, 7 Sep 2008 16:32:03 -0400
Sent to CCL by: "Mr Shabbir" [shabbir : nenu.edu.cn]
Hi CCL users
I am working on anion detecting sensors. In my project I am interested to see
the interaction of a boron containing sensor with different anion eg F,Cl,Br,OH
etc. For their comparative study I have calculted the binding energies of sensor
and these ions.This binding energy is alone not looking reasoable to explain
these interaction .Is there any other property that can also support the trend
of calculated binding energies of these complexs using Gaussian,NBO,AOMix
etc...?
Mr.Shabbir
shabbir]*[nenu.edu.cn