Dear CCL'ers,I would like to ask you for a help. Is it possible to do G3mp2 calculation on the transition state in G98a7?
If yes can someone advice me how to do that? Any help is appriciated. The problem is how to bypass first minimisation steps. regards,
-- Stanislav Ivan Departement Chemie St. Johanns Ring 19 4056 Basel Switzerland Tel.: (+41) (61) 267 11 44 E-mail: stanislav.ivan at.at unibas.ch