Exploring the Dynamic Coordination Sphere of Lanthanide Aqua Ions: Insights from r2SCAN-3c Composite-DFT Born–Oppenheimer Molecular Dynamics Studies

Exploring the Dynamic Coordination Sphere of Lanthanide Aqua Ions: Insights from r2SCAN-3c Composite-DFT Born–Oppenheimer Molecular Dynamics Studies

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Bibliographic Details
Main Authors:	Emiliano Isaías Alanís-Manzano, C. I. León-Pimentel, Laurent Maron, Alejandro Ramírez-Solís, Humberto Saint-Martin
Format:	Article
Language:	English
Published:	American Chemical Society 2024-12-01
Series:	ACS Omega
Online Access:	https://doi.org/10.1021/acsomega.4c04947
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