Author Topic: ONIOM-like calculations in TM?  (Read 5566 times)

wwwups

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ONIOM-like calculations in TM?
« on: June 27, 2008, 10:22:48 AM »
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