"A coupled density functional-molecular mechanics Monte Carlo simulation ..."

Iñaki Tuñón et al. (1996)

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DOI: 10.1002/(SICI)1096-987X(19960115)17:1<19::AID-JCC2>3.0.CO;2-3

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type: Journal Article

metadata version: 2020-04-01

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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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