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Biosolvation Nature of Ionic Liquids: Molecular Dynamics Simulation of Methylated Nucleobases in Hydrated 1-Ethyl-3-methylimidazolium Acetate

[Image: see text] Solvation free energies of methylated nucleobases were calculated in pure and hydrated 1-ethyl-3-methylimidazolium acetate, [Emim][Ac], ionic liquid, and pure water using classical molecular dynamics simulations using multistate Bennett’s acceptance ratio method. The calculated sol...

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Detalles Bibliográficos
Autores principales:	Dasari, Sathish, Mallik, Bhabani S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644902/ https://www.ncbi.nlm.nih.gov/pubmed/31458966 http://dx.doi.org/10.1021/acsomega.8b01231

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