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Refined Force Field for Liquid Sulfolane with Particular Emphasis to Its Transport Characteristics

[Image: see text] An all-atom force field dedicated to capturing the properties of multifunctional sulfolane is necessary. In addition to being an excellent solvent and extractor, sulfolane is also a frequently investigated component for battery electrolytes in recent times. Given this, theoreticall...

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Detalles Bibliográficos
Autores principales: Mukherji, Srimayee, Avula, Nikhil V. S., Balasubramanian, Sundaram
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7643274/
https://www.ncbi.nlm.nih.gov/pubmed/33163812
http://dx.doi.org/10.1021/acsomega.0c04243