Exploring the Dynamic Coordination Sphere of Lanthanide Aqua Ions: Insights from r2SCAN-3c Composite-DFT Born–Oppenheimer Molecular Dynamics Studies - Emiliano Isaías Alanís-Manzano; C. I. León-Pimentel; Laurent Maron; Alejandro Ramírez-Solís; Humberto Saint-Martin (ACS Omega)