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Ionic Force Fields for Electrolytes: Molecular Simulations, Chemical Potentials and Solubilities.
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SYSNO ASEP 0456786 Document Type C - Proceedings Paper (int. conf.) R&D Document Type The record was not marked in the RIV Title Ionic Force Fields for Electrolytes: Molecular Simulations, Chemical Potentials and Solubilities. Author(s) Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Moučka, F. (CZ)
Smith, W.R. (CA)Source Title Book of Abstracts. - Ozarow Mazowiecki : Nobell Compressing sp. z o.o, 2015 / Kosinsky K. ; Urbanczyk M. ; Žerko S. - ISBN N. Number of pages 1s. Publication form Online - E Action CECAM Workshop Atomistic Simulations in Earth Sciences Event date 17.06.2015 - 19.06.2015 VEvent location Paris Country FR - France Event type WRD Language eng - English Country CH - Switzerland Keywords simulation ; ionic force fields ; aqueous electrolytes Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA15-19542S GA ČR - Czech Science Foundation (CSF) Institutional support UCHP-M - RVO:67985858 Annotation Aqueous electrolytes are ubiquitous in environmental, biological, and industrial systems. In addition to experimental data on their properties it has become common nowadays to study and predict their behavior by molecular simulations using various force fields (FF), i.e., intermolecular interaction models with specific parameters obtained by fitting the selected properties to experimental data. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2016
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