[molpro-user] M06 Functionals

Joseph Lane jlane at chemistry.otago.ac.nz
Mon May 25 22:06:01 BST 2009

Hi there

Has anyone successfully implemented the M06 functionals of Truhlar et 
al. in MOLPRO 2008.1?

Kind regards


Joseph Lane
Postdoctoral Research Fellow
Department of Chemistry
University of Otago
P.O. Box 56
Dunedin, New Zealand
ph +64 3 479 7903
email: jlane at chemistry.otago.ac.nz

More information about the Molpro-user mailing list