Publications by authors named "Yosslen Aray"

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Exploring the nature of the interactions between the molecules of the sodium dodecyl sulfate and water in crystal phases and in the water/vacuum interface.
Yosslen Aray, José G Parra, Ricardo Paredes, Luis Javier Álvarez, Antonio Diaz-Barrios

Heliyon· June 2020

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Exploring 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 molecules.
Yosslen Aray, Ricardo Aguilera-García, Daniel R Izquierdo

J Biomol Struct Dyn· January 2019

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Exploring the electron density localization in MoS nanoparticles using a localized-electron detector: Unraveling the origin of the one-dimensional metallic sites on MoS catalysts.
Yosslen Aray, Antonio Díaz Barrios

Phys Chem Chem Phys· August 2018

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Dynamics of Surfactant Clustering at Interfaces and Its Influence on the Interfacial Tension: Atomistic Simulation of a Sodium Hexadecane-Benzene Sulfonate-Tetradecane-Water System.
Ricardo Paredes, Ana Isabel Fariñas-Sánchez, Bryan Medina-Rodrı Guez, Samantha Samaniego, Yosslen Aray

Langmuir· March 2018

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On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector.
Yosslen Aray, Ricardo Paredes, Luis Javier Álvarez, Alejandro Martiz

J Chem Phys· June 2017

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C library for topological study of the electronic charge density.
David Vega, Yosslen Aray, Jesús Rodríguez

J Comput Chem· December 2012

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Exploring the structure-solubility relationship of asphaltene models in toluene, heptane, and amphiphiles using a molecular dynamic atomistic methodology.
Yosslen Aray, Raiza Hernández-Bravo, José G Parra, Jesús Rodríguez, David S Coll

J Phys Chem A· October 2011

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Stability of intermediates in the glycerol hydrogenolysis on transition metal catalysts from first principles.
David Coll, Françoise Delbecq, Yosslen Aray, Philippe Sautet

Phys Chem Chem Phys· January 2011

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First-principles study of low Miller index Ni3S2 surfaces in hydrotreating conditions.
Yosslen Aray, David Vega, Jesus Rodriguez, Alba B Vidal, Maria Elena Grillo

J Phys Chem B· March 2009

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Nature of the Lewis acid sites on molybdenum and ruthenium sulfides: an electrostatic potential study.
Yosslen Aray, Jesús Rodríguez, Santiago Coll, Eloy Nouel Rodríguez-Arias, David Vega

J Phys Chem B· December 2005

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A simple theoretical model to study the voltage dependence of the electronic structure of phenyl ethylene oligomers.
Yamil Simón-Manso, Carlos Gonzalez, Vladimiro Mujica, Yosslen Aray, Manuel Marquez

Ann N Y Acad Sci· December 2003

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Coverage effects and the nature of the metal-sulfur bond in S/Au(111): high-resolution photoemission and density-functional studies.
José A Rodriguez, Joseph Dvorak, Tomas Jirsak, Gang Liu, Jan Hrbek, Yosslen Aray

J Am Chem Soc· January 2003

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Correlation of the Topology of the Electron Density of Pyrite-Type Transition Metal Sulfides with Their Catalytic Activity in Hydrodesulfurization.
Yosslen Aray, Jesus Rodriguez, David Vega, Eloy Nouel Rodriguez-Arias

Angew Chem Int Ed Engl· November 2000

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