From owner-chemistry \\at// ccl.net Tue May 16 03:46:00 2006
From: "Goedele Roos groos : vub.ac.be" <owner-chemistry|,|server.ccl.net>
To: CCL
Subject: CCL: basis set to calculate proton affinity
Message-Id: <-31760-060516024107-13773-LZX5rjU6WeuiJitTQimYNQ|,|server.ccl.net>
X-Original-From: Goedele Roos <groos[]vub.ac.be>
Date: Tue, 16 May 2006 08:40:27 +0200 (CEST)


Sent to CCL by: Goedele Roos [groos[]vub.ac.be]
dear all,

I was wondering which basis set in combination with the B3LYP functional will give the protonaffinity up to 1% accuracy?

Thank you in advance for help.

Goedele

Drs. Goedele Roos
Dienst Algemene Chemie (ALGC)
Vrije Universiteit Brussel (VUB)
Pleinlaan 2
B-1050 Brussels
Tel: 0032-2-629 35 16
Fax: 0032-2-629 33 17