Browsing by Author "89092c7a-5ab9-4664-ab0f-c884c071d007"
Now showing items 1-11 of 11
-
Carmona, Danilo J.; Contreras, David R.; Douglas-Gallardo, Oscar A.; Vogt-Geisse, Stefan; Jaque, Pablo; Vöhringer-Martinez, Esteban (Springer New York LLC, 2018)© 2018, Springer-Verlag GmbH Germany, part of Springer Nature. Hydroxyl radical reduction and peroxide bond breaking in hydrogen peroxide are reactions involved in various processes such as the Fenton reaction, which has ...
-
Spada, Ramiro M.; Cepeda-Plaza, Marjorie; Gómez, María L.; Günther Sapunar, Germán; Jaque, Pablo; Pizarro, Nancy; Palacios, Rodrigo E.; Vega, Andrés (American Chemical Society, 2015)© 2015 American Chemical Society.Rhenium complexes are versatile molecular building blocks whose tunable photophysical properties are useful in diverse opto-related applications. Herein we report the synthesis and ...
-
Toral Ponce, María; Soto, Cesar; Jaque, Pablo; Tapia, A. Eugenia; Richter Duk, Pablo (1998)
-
Yepes, Diana; Valenzuela, Joel; Martínez-Araya, Jorge I.; Pérez, Patricia; Jaque, Pablo (Royal Society of Chemistry, 2019)In this paper, we assess the performance of 24 density functional theory (DFT) based methods classified into 5 categories (GGA, MGGA, HGGA, HMGGA and DHGGA) in predicting reaction energetics, transition state geometries, ...
-
Richter Duk, Pablo; Toral Ponce, María; Jaque, Pablo (WILEY-V C H VERLAG GMBH, 2000-03)The analytical application of a simple polarographic Row through cell, which was previously designed for the continuous polarographic analysis of organic compounds in pharmaceuticals and urine, is proposed in this work for ...
-
Paredes Gil, Katherine; Mendizábal Emaldía, Fernando; Jaque, Pablo (NLM (Medline), 2019)The chemical reactivity of the first- and second-generation Grubbs catalysts has always been a significant issue in olefin metathesis. In the present work, we study the [2+2] cycloreversion/cycloaddition and the alkylidene ...
-
Yepes, Diana; Jaque Olmedo, Pablo; Fernández, Israel (Wiley-VCH, 2018-06-21)The hydrogenation reaction of multiple bonds that is mediated by geminal aminoborane-based frustrated Lewis pairs (FLPs) has been explored by means of density functional theory calculations. It was found that the release ...
-
Liu, Lei; Lukose, Binit; Jaque, Pablo; Ensing, Bernd (KeAi Publishing Communications Ltd., 2019)Typically, a Lewis acid and a Lewis base can react with each other and form a classical Lewis adduct. The neutralization reaction can however be prevented by ligating the acid and base with bulky substituents and the ...
-
Toral Ponce, María; Richter Duk, Pablo; Lara, Nelson; Jaque, Pablo; Soto, Cesar; Saavedra, Marcela (1999)A direct and simple first derivative spectrophotometric method has been developed for the simultaneous determination of clidinium bromide and chlordiazepoxide in pharmaceutical formulations. Acetonitrile was used as solvent ...
-
Moreno Da Costa, David; Borja, Luis; Verdugo, Camilo; Martinez, Javier; Quintero, Celso; Jaque, Pablo; Trofymchuk, Oleksandra S.; Daniliuc, Constantin G.; Cabrera, Alan R.; Rojas, Rene S. (Royal Society of Chemistry, 2019)New 4-amino-3-iminoquinoline derivative ligands (L1-4) were synthesized through an intramolecular exo-dig cyclization of anionic β-diketiminates, containing an N-benzonitrile moiety. The effect of the alkali-metal in this ...
-
Chattaraj, Pratim K.; Fuentealba Rosas, Patricio; Jaque, Pablo; Toro Labbé, Alejandro (American Chemical Society, 1999)Molecular vibrations in ammonia (NH3) and hydrogen sulfide (H2S), and internal rotations in hydrogen peroxide (HOOH), hydrogen thioperoxide (HSOH), hydrogen persulfide (HSSH), and ethylene (C2H4) are studied using ab initio ...