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Author Topic: hydrogen bonding interaction  (Read 8355 times)

jitmukherjeechem

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hydrogen bonding interaction
« 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.
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