Listar Artículos científicos por autor "Cabellos, Jose Luis"

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      Relative Populations and IR Spectra of Cu38 Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations (2024) 

      Buelna-García, Carlos Emiliano; Castillo-Quevedo, Cesar; Quiroz-Castillo, Jesus Manuel; Paredes-Sotelo, Edgar; Cortez-Valadez, Manuel; Martin-del-Campo-Solis, Martha Fabiola; López-Luke, Tzarara; Utrilla-Vázquez, Marycarmen; Mendoza-Wilson, Ana Maria; Rodríguez-Kessler, Peter L.; ... (Frontiers Media S.A., 2022)
      The relative populations of Cu38 isomers depend to a great extent on the temperature. Density functional theory and nanothermodynamics can be combined to compute the geometrical optimization of isomers and their spectroscopic ...