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. Author manuscript; available in PMC: 2012 Mar 8.
Published in final edited form as: J Chem Theory Comput. 2011 Mar 8;7(3):625–632. doi: 10.1021/ct100641a

FIG. 8.

FIG. 8

Dihydrogen interactions in a BH3NH3 tetramer in a) the fully-optimized gas-phase geometry and b) the solid-state geometry. NCI surfaces correspond to s = 0.4 au and a colour scale of −0.03 < ρ < 0.03 au.