Fate of Sc-Ion Interaction With Water: A Computational Study to Address Splitting Water Versus Solvating Sc Ion

An exhaustive study of Sc-ion interaction with water molecules in all its possible oxidation and spin states has been carried out to delineate the relative propensity of Sc ions toward solvation and water splitting. Potential energy surface analysis of the Sc-ion reaction with water molecules, topol...

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Detalles Bibliográficos
Autores principales: Kumar, Nandan, Kumar, Y. Bhargav, Sarma, Himakshi, Sastry, G. Narahari
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8558820/
https://www.ncbi.nlm.nih.gov/pubmed/34733820
http://dx.doi.org/10.3389/fchem.2021.738852

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8558820/
https://www.ncbi.nlm.nih.gov/pubmed/34733820
http://dx.doi.org/10.3389/fchem.2021.738852

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