Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether

In this study, we investigate the influence of chiral and achiral cations on the enantiomerization of biphenylic anions in n-butylmethylether and water. In addition to the impact of the cations and solvent molecules on the free energy profile of rotation, we also explore if chirality transfer betwee...

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Detalles Bibliográficos
Autores principales: Zeindlhofer, Veronika, Hudson, Phillip, Pálvölgyi, Ádám Márk, Welsch, Matthias, Almarashi, Mazin, Woodcock, H. Lee, Brooks, Bernard, Bica-Schröder, Katharina, Schröder, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7503397/
https://www.ncbi.nlm.nih.gov/pubmed/32872113
http://dx.doi.org/10.3390/ijms21176222

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7503397/
https://www.ncbi.nlm.nih.gov/pubmed/32872113
http://dx.doi.org/10.3390/ijms21176222

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