Listar Artículos científicos por autor "Pereira Orenha, Renato"

Mostrando ítems 1-4 de 4

    • Article

      The bonding situation in heteromultimetallic carbonyl complexes (2020) 

      Ortolan, Alexandre Osmar; Caramori, Giovanni Finoto; Parreira, Renato L. T.; Pereira Orenha, Renato; Munõz-Castro, Alvaro; Frenking, Gernot (Royal Society of Chemistry, 2020-12-14)
      The synthesis and characterization of heteromultimetallic complexes has been one of the biggest challenges faced by inorganic chemists in the last few years. Here, the physical nature behind the relative stability of ...
    • Article

      The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations (2020) 

      Pereira Orenha, Renato; Nagurniak, Glaucio R.; Cachoeira Colaço, Matheus; Finoto Caramori, Giovanni; Jeomar Piotrowski, Maurício; de Araújo Batista, Krys Elly; Muñoz-Castro, Alvaro; de Almeida Silva, Breno; Esteves, Benjamim José; Parreira, R. L.T. (NLM (Medline), 2020-11-07)
      The recent development of compounds for recognizing ions highlights the applicability of this area. In this work, the simultaneous recognition of cations (Li+, Na+ and K+) and anions (F-, Cl- and I-) using a macrocycle ...
    • Article

      The usefulness of energy decomposition schemes to rationalize host-guest interactions (2021) 

      Caramori, Giovanni Finoto; Østrøm, Ina; Ortolan, Alexandre Osmar; Nagurniak, Glaucio R.; Besen, Vitor M.; Muñoz-Castro, Alvaro; Pereira Orenha, Renato; Galembeck, Sergio Emanuel; Parreira, Renato L.T. (Royal Society of Chemistry, 2020-12-28)
      This perspective focuses on the crucial role that energy decomposition schemes play in elucidating the physical nature of non-covalent interactions in supramolecular systems, particularly from the point of view of host-guest ...
    • Article

      Theoretical study of chloride complexes with hybrid macrocycles (2021) 

      Silva, Éder Henrique Da; Pereira Orenha, Renato; Muñoz-Castro, Alvaro; Finoto Caramori, Giovanni; Cachoeira Colaço, Matheus; Guerra Silva, Graziele Capatto; Parreira, R. L.T. (Royal Society of Chemistry, 2021-01-07)
      Anions show relevant roles in biological routes. The supramolecular chemistry investigates the chemical bonding between two or more molecules and/or ions. Herein, the nature of the bond between chloride anions and macrocycle ...