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Original Research

Published on 01 Mar 2022

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

in Theoretical and Computational Chemistry

  • Carlos Emiliano Buelna-García
  • Cesar Castillo-Quevedo
  • Jesus Manuel Quiroz-Castillo
  • Edgar Paredes-Sotelo
  • Manuel Cortez-Valadez
  • Martha Fabiola Martin-del-Campo-Solis
  • Tzarara López-Luke
  • Marycarmen Utrilla-Vázquez
  • Ana Maria Mendoza-Wilson
  • Peter L. Rodríguez-Kessler
Relative Populations and IR Spectra of Cu38 Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations
Frontiers in Chemistry
doi 10.3389/fchem.2022.841964
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  • 7 citations