[Pw_forum] Interaction energies between molecules

Manuel Fernandes 0occam at gmail.com
Fri Jan 17 10:32:21 CET 2014


Hi everyone,

Is there anyway to do a lattice energy calculation on an organic crystal
and then extract the interaction energy between pairs of molecules of
interest from that? What I would like to know for example is how strongly a
molecule as a whole interacts with its neighbours in particular directions
in a crystal environment.

Thanking you in advance,

Manuel Fernandes
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