From owner-chemistry@ccl.net Mon Feb  1 08:37:01 2016
From: "Lara Kabaln l.kabalan|-|ucl.ac.uk" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL: bimetallic catalyst
Message-Id: <-51994-160201051824-20723-mmkTrOSVPbih6JH+NosJYA*|*server.ccl.net>
X-Original-From: "Lara  Kabaln" <l.kabalan,+,ucl.ac.uk>
Date: Mon, 1 Feb 2016 05:18:23 -0500


Sent to CCL by: "Lara  Kabaln" [l.kabalan * ucl.ac.uk]
Dear All,

I am trying to study the synthesise of a bimetallic complex from its two metal complexes. The 
problem is that I am getting with B3LYP and wb97xd an endothermic reaction in gas phase while it is 
experimentally exothermic, I also tried in solution using cpmc model the problem is that one of the 
metal complex does not want to converge. Your helps are greatly appreciated,

Regards,

Lara