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Physical Chemistry Chemical Physics : PCCP|April 4, 2020
Structures, stabilities and aromatic properties of endohedrally transition metal doped boron clusters M@B22, M = Sc and Ti: a theoretical studyChristian A Celaya, Fernando Buendía, Alan Miralrio, et al.International Journal of Molecular Sciences|May 14, 2022
A General Use QSAR-ARX Model to Predict the Corrosion Inhibition Efficiency of Drugs in Terms of Quantum Mechanical Descriptors and Experimental Comparison for LidocaineCarlos Beltran-Perez, Andrés A A Serrano, Gilberto Solís-Rosas, et al.International Journal of Molecular Sciences|October 14, 2022
A Comparative DFT Study on Process Control Agents in the Mechanochemical Synthesis of PbTeHugo Rojas-Chávez, Alan Miralrio, José M Juárez-García, et al.International Journal of Molecular Sciences|June 28, 2023
Substitutional Coinage Metals as Promising Defects for Adsorption and Detection of Gases on MoS2 Monolayers: A Computational ApproachJosue Gutierrez-Rodriguez, Miguel Castro, Jose Manuel Nieto-Jalil, et al.International Journal of Molecular Sciences|October 28, 2023
Gas Sensing and Half-Metallic Materials Design Using Metal Embedded into S Vacancies in WS2 Monolayers: Adsorption of NO, CO, and O2 MoleculesEduardo Rangel-Cortes, José Pablo Garcia-Islas, Josue Gutierrez-Rodriguez, et al.International Journal of Molecular Sciences|March 25, 2022
4-Phenylcoumarin (4-PC) Glucoside from Exostema caribaeum as Corrosion Inhibitor in 3% NaCl Saturated with CO2 in AISI 1018 Steel: Experimental and Theoretical StudyAraceli Espinoza-Vázquez, Francisco Javier Rodríguez-Gómez, Ignacio Alejandro Figueroa-Vargas, et al.Pageof 2