Abstract
The contribution of the solvent molecules to the potentials of mean force between two water molecules in selected fixed relative orientations was calculated as a function of the interoxygen distance using the probability ratio method with adaptive umbrella sampling in Monte Carlo computer simulations.
Original language | English |
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Pages (from-to) | 1359-1361 |
Number of pages | 3 |
Journal | The Journal of Chemical Physics |
Volume | 92 |
Issue number | 2 |
DOIs | |
State | Published - 1990 |