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Excess chemical potential of thiophene in [C(4)MIM] [BF(4), Cl, Br, CH(3)COO] ionic liquids, determined by molecular simulations

The excess chemical potential of thiophene in imidazolium-based ionic liquids [C(4)mim][BF(4)], [C(4)mim][Cl], [C(4)mim][Br], and [C(4)mim][CH(3)COO] were determined by means of molecular dynamics in conjunction with free energy perturbation techniques employing non-polarizable force fields at 300 K...

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Detalles Bibliográficos
Autores principales:	Velarde-Salcedo, Marco V., Sánchez-Badillo, Joel, Gallo, Marco, López-Lemus, Jorge
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9040597/ https://www.ncbi.nlm.nih.gov/pubmed/35479577 http://dx.doi.org/10.1039/d1ra04615b

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