Browsing by Author "Inostroza, Diego"

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    • Structure prediction using reactivity descriptors 
      Pino Ríos, Ricardo; Yáñez, Osvaldo; Inostroza, Diego; Báez Grez, Rodrigo; Cárdenas Valencia, Carlos Alberto; Tiznado, William (Elsevier, 2023)
      This chapter reviews different approaches proposed to use a local descriptor, the Fukui function, and a global descriptor, the chemical potential, to guide the exploration of the potential energy surface of clusters and ...