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
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
