Probing calcium solvation by XAS, MD and DFT calculations

The solvation shell structures of Ca(2+) in aqueous and organic solutions probed by calcium L-edge soft X-ray absorption spectroscopy (XAS) and DFT/MD simulations show the coordination number of Ca(2+) to be negatively correlated with the electrolyte concentration and the steric hindrance of the sol...

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Detalles Bibliográficos
Autores principales: Yang, Feipeng, Liu, Yi-Sheng, Feng, Xuefei, Qian, Kun, Kao, Li Cheng, Ha, Yang, Hahn, Nathan T., Seguin, Trevor J., Tsige, Mesfin, Yang, Wanli, Zavadil, Kevin R., Persson, Kristin A., Guo, Jinghua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055519/
https://www.ncbi.nlm.nih.gov/pubmed/35516916
http://dx.doi.org/10.1039/d0ra05905f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055519/
https://www.ncbi.nlm.nih.gov/pubmed/35516916
http://dx.doi.org/10.1039/d0ra05905f

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