Free-energy differences of OPC-water and SPC/HW-heavy-water models using the Bennett acceptance ratio

Surface tension, vapor density of OPC-water and SPC/HW-heavy-water models have been estimated at low temperatures using the scaled model. The free-energy difference, - [Formula: see text] , of n-molecules and (n-1)-molecules plus a free probe has been calculated using the Bennett acceptance ratio wi...

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Detalles Bibliográficos
Autores principales: Khasawinah, Khetam, Alzoubi, Zain, Obeidat, Abdalla
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9364108/
https://www.ncbi.nlm.nih.gov/pubmed/35965979
http://dx.doi.org/10.1016/j.heliyon.2022.e10000

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9364108/
https://www.ncbi.nlm.nih.gov/pubmed/35965979
http://dx.doi.org/10.1016/j.heliyon.2022.e10000

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