[Pw_forum] Fwd: H-bonding in DFT
ZARA NBSH
z.nrbsh at gmail.com
Tue Jun 28 17:27:36 CEST 2016
Dear all
I would like to study the interaction between two organic molecules
(contains C, H and O atoms).
It seems that hydrogen-bonding between H and O atoms of different molecules
play an important role.
My question is that what is the best method to study this system?
Could usual DFT (GGA for example blyp PP) have a correct prediction of this
system?
I really appreciate your help in advance.
WBR
-NN
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