Journal of Chemical Physics, Vol.102, No.1, 419-426, 1995
The Potentials of Mean Force of Sodium-Chloride and Sodium Dimethylphosphate in Water - An Application of Adaptive Umbrella Sampling
Keywords:PHOSPHATE ION-PAIR;MOLECULAR-DYNAMICS;COMPUTER-SIMULATION;AQUEOUS-SOLUTIONS;LIQUID WATER;SITE THEORY;SOLVENT;ASSOCIATION;EQUILIBRIA;BINDING