Subject: Calculations for hydrogen isotopes

From: "Hr Dr. S. Shapiro" <[email-masked]>
Date: Mon, 25 Jul 1994 09:47:16 +0100 (MET)

Dear Colleagues,

     Does anyone know of programmes that can (i) calculate bond strengths/
bond lengths of carbon-protium, carbon-deuterium, and carbon-tritium in
alkyl (sp3) molecules? (ii) calculate the rotation energy barriers for chiral
methyl groups CHDT attached to unhindered alkyl moieties relative to that
for CH3?

     Thanks to all responders in advance.

Sincerely,

S. Shapiro
Institut fuer orale Mikrobiologie
Zentrum fuer Zahn-, Mund- und Kieferheilkunde der Universitaet Zuerich
Plattenstrasse 11
Postfach
CH-8028 Zuerich, Switzerland

Internet: [email-masked]