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"A coupled density functional-molecular mechanics Monte Carlo simulation ..."
Iñaki Tuñón et al. (1996)
- Iñaki Tuñón, Marilia T. C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López, Jean-Louis Rivail:
A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water. J. Comput. Chem. 17(1): 19-29 (1996)
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