CCL:G: Determining Sigma and Pi (back bonding) contributions using Gaussian
0
- From: "Krati Joshi"
<kjjulie.joshi++gmail.com>
- Subject: CCL:G: Determining Sigma and Pi (back bonding)
contributions using Gaussian 0
- Date: Thu, 31 Jul 2014 07:14:03 -0400
Sent to CCL by: "Krati Joshi" [kjjulie.joshi-.-gmail.com]
Dear All,
I am working on some transition metal complexes with TPy ligand using gaussian
09 (DFT/PBE). I want to know how to determine the contributions of sigma and pi
bonding (pi back bonding). If anybody have any information (sites, article etc)
regarding this, please write back to me. It will be of great help to me.
Thanks and Regards
Krati Joshi
CSIR-Central Electrochemical Research Institute (CECRI)
Karaikudi, Tamil Nadu
INDIA
Email: kjjulie.joshi-at-gmail.com