Browsing by Author "Cardenas Valencia, Carlos Alberto"

Now showing items 1-3 of 3

    • Deexcitation rate coefficients of C-3 by collision with H-2 at low temperatures 
      Santander, Carlos; Denis Alpizar, Otoniel; Cardenas Valencia, Carlos Alberto (EDP Sciences, 2022)
      Context. An accurate analysis of the physical-chemical conditions in the regions of the interstellar medium in which C3 is observed requires knowing the collisional rate coefficients of this molecule with He, H2, electrons, ...
    • Development and implementation of conceptual density-functional theory for solid-state 
      Barrera Pavez, Nicolás Fabián (Universidad de Chile, 2024)
      La interacción de especies químicas, cómo los enlaces se crean y rompen para dar pie a nuevas especies, es un fenómeno esencialmente cuántico y un problema fundamental de la física química. Por esta razón el poseer un marco ...
    • Molecular interactions from the density functional theory for chemical reactivity: the interaction energy ... 
      Miranda Quintana, Ramón Alain; Heidar-Zadeh, Farnaz; Fias, Stijn; Chapman, Allison E. A.; Liu, Shubin; Morell, Christophe; Gómez, Tatiana; Cardenas Valencia, Carlos Alberto; Ayers, Paul W. (Frontiers Media, 2022)
      Reactivity descriptors indicate where a reagent is most reactive and how it is most likely to react. However, a reaction will only occur when the reagent encounters a suitable reaction partner. Determining whether a pair ...