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Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields.
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SYSNO 0472724 Title Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields. Author(s) Moučka, F. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Smith, W.R. (CA)Source Title Journal of Chemical Theory and Computation . Roč. 11, č. 4 (2015), s. 1756-1764. - : American Chemical Society Document Type Článek v odborném periodiku Grant OGP1041, CA - Canada Institutional support UCHP-M - RVO:67985858 Language eng Country US Keywords monte-carlo simulations * molecular-dynamic simulations * free-energy Cooperating institutions Univerzita JE Purkyně, Ústi nad Labem (Czech Republic) URL https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00018 Permanent Link http://hdl.handle.net/11104/0269952
Number of the records: 1