Subject: Methods and basis sets to study hydrogen bonding

From: [email-masked]
Date: Tue, 8 Apr 2003 10:02:12 +0100

Dear All

I'm trying to perform some electonic calculation in supramolecular systems, and
I´m interested in study intermolecular hydrogen bonds between two molecules.
Can anyone advice me for the best methods (and basis sets) to study hydrogen
bonding? Note that my system is composed of 100 atoms.

Thanks

Best regards

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