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Nanomaterials (Basel, Switzerland)|September 12, 2025
Computational Study of ZnO Surface Catalysis: Adsorption of H2O or/and O2 as a Pathway to ROS FormationSena E Adjovi, Monica Calatayud, Lourdes GraciaRSC Advances|April 15, 2022
Density-functional study of pressure-induced phase transitions and electronic properties of Zn2V2O7Daniel Díaz-Anichtchenko, Lourdes Gracia, Daniel ErrandoneaThe Journal of Physical Chemistry. A|November 21, 2007
A theoretical study on the electronic structure of Au-XO(0,-1,+1) (X=C, N, and O) complexes: effect of an external electric fieldFrederik Tielens, Lourdes Gracia, Victor Polo, et al.Inorganic Chemistry|January 7, 2012
CaSO4 and its pressure-induced phase transitions. A density functional theory studyLourdes Gracia, Armando Beltrán, Daniel Errandonea, et al.The Journal of Physical Chemistry. A|February 7, 2008
Theoretical study on the reaction mechanism of VO2+ with propyne in gas phaseLourdes Gracia, Victor Polo, Julio R Sambrano, et al.Scientific Reports|March 17, 2016
In situ Transmission Electron Microscopy observation of Ag nanocrystal evolution by surfactant free electron-driven synthesisElson Longo, Waldir Avansi, Jefferson Bettini, et al.Chempluschem|January 24, 2020
Photoluminescence and Photocatalytic Properties of Ag3 PO4 Microcrystals: An Experimental and Theoretical InvestigationGleice Botelho, Juan Andres, Lourdes Gracia, et al.Nanotechnology|September 18, 2015
Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculationsJuan Andrés, Lourdes Gracia, Amanda Fernandes Gouveia, et al.Inorganic Chemistry|August 18, 2016
Formation of Ag Nanoparticles on β-Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental StudyRoman A Roca, Amanda F Gouveia, Pablo S Lemos, et al.The Journal of Physical Chemistry Letters|October 17, 2022
A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair ActivityEduardo O Gomes, Amanda F Gouveia, Lourdes Gracia, et al.Pageof 3