CCL: dissociation energies in Pt complexes
- From: "Ariela Kaspi-Kaneti"
- Subject: CCL: dissociation energies in Pt complexes
- Date: Wed, 14 Nov 2018 14:34:22 -0500
Sent to CCL by: "Ariela Kaspi-Kaneti" [ariela.w.kaspi|gmail.com]
I am looking for a good protocol to calc dissociation energies for platinum
complexes (other atoms may be C,H,N,O,Cl). does'nt have to be perfect accuracy,
but needs to be good enough to trust when comparing between dissociation
energies of different component in the molecule.
I am using Q-Chem 4.4 so looking for something applicable.