Journal of the American Chemical Society, Vol.117, No.14, 4177-4178, 1995
Cation-Pi Interactions - Nonadditive Effects Are Critical in Their Accurate Representation
Keywords:IONIC HYDROGEN-BONDS;MOLECULAR-DYNAMICS;INTERMOLECULAR POTENTIALS;ACETYLCHOLINE-BINDING;POLARIZABLE WATER;FREE-ENERGIES;BENZENE;SIMULATIONS;SOLVATION;COEFFICIENTS