Listar Investigación y Desarrollo por autor "Caramori, Giovanni Finoto"
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Article
Nature of hydride and halide encapsulation in Ag8cages: insights from the structure and interaction energy of [Ag8(X){S2P(OiPr)2}6]+(X = H−, F−, Cl−, Br−, I−) from relativistic DFT calculations (2022)
Guajardo-Maturana, Raúl; Ortolan, Alexandre Osmar; Rodríguez-Kessler, P. L.; Caramori, Giovanni Finoto; Parreira, R. L.T.; Muñoz-Castro, Álvaro (Royal Society of Chemistry, 2022-01-07)Unraveling the different contributing terms to an efficient anion encapsulation is a relevant issue for further understanding of the underlying factors governing the formation of endohedral species. Herein, we explore the ... -
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 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 ...