BILFF: All-Atom Force Field for Modeling Triazolium- and Benzoate-Based Ionic Liquids

We present an extension of our previously developed all-atom force field BILFF (Bio-polymers in Ionic Liquids Force Field) to three different ionic liquids: 1-ethyl-3-methyl-1,2,3-triazolium acetate ([EMTr][OAc]), 1-ethyl-3-methyl-1,2,3-triazolium benzoate ([EMTr][OBz]), and 1-ethyl-3-methylimidazol...

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Detalles Bibliográficos
Autores principales: Roos, Eliane, Sebastiani, Daniel, Brehm, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10674667/
https://www.ncbi.nlm.nih.gov/pubmed/38005314
http://dx.doi.org/10.3390/molecules28227592

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10674667/
https://www.ncbi.nlm.nih.gov/pubmed/38005314
http://dx.doi.org/10.3390/molecules28227592

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