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Physical Chemistry Chemical Physics : PCCP|June 16, 2026
Direct access to thermodynamics from equilibrium compositional heterogeneitiesDiego Moreno MartinezJournal of Chemical Information and Modeling|May 10, 2022
Force Field Parameterization of Actinyl Molecular Cations Using the 12-6-4 ModelDiego Moreno Martinez, Dominique Guillaumont, Philippe GuilbaudPhysical Chemistry Chemical Physics : PCCP|September 5, 2025
Improved modeling of battery electrolytes: betting on model fitting or quantum effects?Defne Saraç, Diego Moreno Martinez, Marie-Liesse Doublet, et al.The Journal of Physical Chemistry. B|July 29, 2021
Aggregation of Bifunctional Extractants Used for Uranium(VI) SeparationDiego Moreno Martinez, Eléonor Acher, Marin Vatin, et al.Journal of Chemical Theory and Computation|January 15, 2024
Modeling Lanthanide Ions in Solution: A Versatile Force Field in Aqueous and Organic SolventsMagali Duvail, Diego Moreno Martinez, Lara Žiberna, et al.Inorganic Chemistry|May 15, 2023
Investigation of the Plutonium(IV) Interactions with Two Variants of the EF-Hand Ca-Binding Site I of CalmodulinLoïc Daronnat, Vanessa Holfeltz, Nathalie Boubals, et al.Pageof 1