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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2022
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| Materias: | |
| 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 |