• Article

      Structural, electronic and magnetic properties of copper(I) cubic clusters (2021) 

      Barboza, Cristina Aparecida; Gambetta, Adrian; Arratia-Pérez, Ramiro; Rodríguez-Kessler, P. L.; Muñoz-Castro, Alvaro; MacLeod-Carey, Desmond (Elsevier Ltd, 2020-11-02)
      We report the molecular and electronic structure, and the calculated electronic excitation energies, using the time dependent density functional methodologies (TD-DFT), and the induced magnetic field (Bi) of a series of ...