Listar Producción Científica por autor "Guajardo-Maturana, Raúl"
Mostrando ítems 1-4 de 4
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Article
Coinage-metal pillarplexes hosts. Insights into host-guest interaction nature and luminescence quenching effects (2021)
Rojas-Poblete, Macarena; Rodríguez-Kessler, P. L.; Guajardo-Maturana, Raúl; Munõz-Castro, Álvaro (Royal Society of Chemistry, 2021-08-14)Host-guest chemistry is a relevant issue in materials science, which encourages further development of versatile host structures. Here the particular features of coinage-metal pillarplexes are evaluated towards formation ... -
Article
Design of new porous supramolecular arrays from flavyliums derivative linker. A theoretical assemble toward surface properties (2022)
Linares-Flores, Cristian; Rojas-Poblete, Macarena; Guajardo-Maturana, Raúl; Velásquez, L.; Schott V., Eduardo (Elsevier B.V., 2022-03)Here, we attempt to design novel microporous framework materials, in this sense, such designs were carried out taking flavylium derivatives as corresponding linkers, which are assembled with the chosen well-known secondary ... -
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
Revising the formation and electronic properties in flavylium derivatives. A theoretical tandem towards optimized DSSCs (2021)
Linares-Flores, Cristian; Guajardo-Maturana, Raúl; Tirapegui, Cristian; Velasquez, Luis; Arratia-Pérez, Ramiro; Schott V, Eduardo (Royal Society of Chemistry, 2021-03-07)We attempted to describe a set of flavylium derivative molecules through quantum density functional methods, which may lead to a better understanding of the physicochemical properties of these organic systems. Consequently, ...