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Issue DateTitleAuthor(s)
2019Exploring the nature of the H-bonds between the human class II MHC protein, HLA-DR1 (DRB*0101) and the influenza virus hemagglutinin peptide, HA306-318, using the quantum theory of atoms in moleculesAray, Yosslen; Aguilera García, Ricardo; Izquierdo, Daniel R.
2019Nature of the Active Sites of Molybdenum-Based Catalysts and Their Interaction with Sulfur- and Nitrogen-Containing Molecules Using the Quantum Theory of Atoms in Molecules and the Molecular Electrostatic PotentiaAray, Yosslen
2019Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation studyParra, José G.; Domínguez, Héctor; Aray, Yosslen; Iza, Peter; Zarate, Ximena; Schott, Eduardo
2017Exploring the electron density localization in single MoS2 monolayers by means of a localize-electrons detector and the quantum theory of atoms in moleculesAray, Yosslen
2018Dynamics of Surfactant Clustering at Interfaces and Its Influence on the Interfacial Tension: Atomistic Simulation of a Sodium Hexadecane-Benzene Sulfonate-Tetradecane-Water SystemParedes, Ricardo; Fariñas Sánchez, Ana Isabe; Medina Rodrĺguez, Bryan; Samaniego, Samantha; Aray, Yosslen; Álvarez, Luis Javier
2018Exploring the electron density localization in MoS2 nanoparticles using a localized-electron detector: Unraveling the origin of the one-dimensional metallic sites on MoS2 catalystsAray, Yosslen; Barrios, Antonio Díaz
2017On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detectorAray, Yosslen; Paredes, Ricardo; Alvarez, Luis Javier; Martiz, Alejandro