TURBOMOLE Users Forum

TURBOMOLE Modules => Define => Topic started by: jitmukherjeechem on June 02, 2012, 01:03:09 PM

Title: hydrogen bonding interaction
Post by: jitmukherjeechem on June 02, 2012, 01:03:09 PM

I came to know that the B2PLYP functional with the keyword $disp in the control file takes care of non bonded dispersion interaction properly. Is it properly handle the cases where hydrogen bonding plays a major role?

Thanks and Regards.