SAINT MARTIN POSADA, HUMBERTO

Últimas publicaciones Scopus

2026

Solvation of the Ra2+ ion in ammonia and water. A hybrid density functional theory Born–Oppenheimer molecular dynamics study Journal of Chemical Physics · Vol. 164 Article

2025

Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study Molecular Physics · Vol. 123 Article

2024

Exploring the Dynamic Coordination Sphere of Lanthanide Aqua Ions: Insights from r2SCAN-3c Composite-DFT Born-Oppenheimer Molecular Dynamics Studies ACS Omega · Vol. 9 Article

Fifty Years of Molecular Simulations at UAM and in Mexico Journal of the Mexican Chemical Society · Vol. 68 Review

THE MICROSCOPIC STRUCTURE AND DYNAMICS OF WATER AT A SURFACE Biomolecules in Organic Solvents Book Chapter