Quantum effects on the stability of the He5I2 van der Waals conformers. - Álvaro Valdés; Rita Prosmiti (J. Comput. Chem., 2019)

He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions. - Raquel Yanes-Rodríguez; Daniel J. Arismendi-Arrieta; Rita Prosmiti (J. Chem. Inf. Model., 2020)

Confining CO2 inside sI clathrate-hydrates: The impact of the CO2-water interaction on quantized dynamics. - Álvaro Valdés; Adriana Cabrera-Ramírez; Rita Prosmiti (J. Comput. Chem., 2023)