ONIOM-like calculations in TM?

Started by wwwups, June 27, 2008, 10:22:48 AM

Previous topic - Next topic

wwwups

Hi all,
Is there a current/future capability for performing ONIOM-like calculations in TM ? I know that calculations with 100s of atoms are already routine in TM, but would like to treat the quantum mechanical part of the model with a relatively large basis set.
Regards,
Pradeep