Browsing by Author "201-0010590"
Now showing items 61-68 of 68
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Mendizábal Emaldía, Fernando; Olea Azar, Claudio; Miranda, Sebastián (JOHN WILEY & SONS INC, 2007-05)Ab initio calculations suggest that a series of complexes of type [Pt(PH3)(3)-MPH3](+) (M = Au, Ag, Cu) are stable. We found that changes around the equilibrium distance Pt-M and in the interaction energies are sensitive ...
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Mendizábal Emaldía, Fernando; Donoso, Daniela; Olea Azar, Claudio; Mera, Raúl (ELSEVIER SCIENCE BV, 2007-02-18)We studied the attraction between [Pt(PH3)(3)] and the metals (Hg(0) and Au(-I)) in the hypothetical [Pt(PH3)(3)M] isoelectronic complexes using ab initio methodology. We found that the changes around the equilibrium ...
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Rigol Olsen, Carolina; Olea Azar, Claudio; Mendizábal Emaldía, Fernando; Briones, Rodolfo; Cerecetto, Hugo; González, M. (ELSEVIER SCIENCE BV, 2006-09-29)Theoretical studies of molecular conformations and electronic properties calculations of eight 5-nitrofuryl thiosemicarbazone free radicals, by means of ab initio (R/UHF), and DFT (R/UB3LYP) methods are presented and ...
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Mendizábal Emaldía, Fernando; Aguilera, Benjamín; Olea Azar, Claudio (ELSEVIER SCIENCE BV, 2007-10-25)The aurophilic attraction and the spectroscopic properties of [AU(3)(MeN=COMe)(3)](n) (n = 1-4) were studied at the MP2 and density functional theory (B3LYP and PBE) levels. Theoretical calculations at the MP2 level are ...
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Mendizábal Emaldía, Fernando; Olea Azar, Claudio; Briones, Rodolfo (ELSEVIER SCIENCE BV, 2006-05-30)The electronic structure and the spectroscopic properties of [M(CN)(2)](n)(-n), (M = Au(I), Ag(I); n = 1-3) were studied using density functional theory (DFT) at the B3LYP level. The absorption spectrums in these complexes ...
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Acuña Rougier, C.; Olea Azar, Claudio (Springer, 2013)The main purpose of this work was to study the chiral recognition thermodynamics of inclusion complexes formed by flavanones and b-cyclodextrins, and its relation with the inclusion geometries, through NMR experiments. By ...
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Use of Pyrogallol Red and Pyranine as Probes to Evaluate Antioxidant Capacities towards Hypochlorite Pérez Cruz, Fernanda; Cortés, Constanza J.; Atala, Elías; Bohle, Pamela; Valenzuela, Francisco; Olea Azar, Claudio; Speisky Cosoy, Hernán; Aspée, Alexis; Lissi Gervaso, Eduardo A.; López Alarcón, Camilo; Bridi, Raquel (2013)Hypochlorite is a strong oxidant able to induce deleterious effects in biological systems. The goal of this work was to investigate the use of PGR and PYR as probes in assays aimed at evaluating antioxidant activities ...
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Sarniguet, Cynthia; Toloza, Jeannette; Cipriani, Micaella; Lapier, Michel; Vieites, Marisol; Toledano Magaña, Yanis; García Ramos, Juan Carlos; Ruiz Azuara, Lena; Moreno, Virtudes; Maya Arango, Juan; Olea Azar, Claudio; Gambino, Dinorah; Otero, Lucía (Springer, 2014)Parasitic illnesses are major causes of human disease and misery worldwide. Among them, both amebiasis and Chagas disease, caused by the protozoan parasites, Entamoeba histolytica and Trypanosoma cruzi, are responsible ...