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. Author manuscript; available in PMC: 2011 Mar 16.
Published in final edited form as: CrystEngComm. 2010 Jan 1;2010(12):4042–4044. doi: 10.1039/C0CE00162G

Table 1.

Binding energies (kcal mol−1) of the optimized complexes

L1 L2
H2O CH3OH H2O CH3OH
−0.61 −9.94 −13.24 −12.78