From owner-chemistry |-at-| ccl.net Wed Nov 14 16:31:01 2018
From: "Ariela Kaspi-Kaneti ariela.w.kaspi ~ gmail.com" <owner-chemistry^server.ccl.net>
To: CCL
Subject: CCL: dissociation energies in Pt complexes
Message-Id: <-53547-181114143423-29969-41jDWhp7KG/VjVGneOsj7g^server.ccl.net>
X-Original-From: "Ariela  Kaspi-Kaneti" <ariela.w.kaspi{:}gmail.com>
Date: Wed, 14 Nov 2018 14:34:22 -0500


Sent to CCL by: "Ariela  Kaspi-Kaneti" [ariela.w.kaspi|gmail.com]
Hello everyone,

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.

thanks,

Ariela