Browsing by Subject Reaccions químiques

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Issue DateTitleAuthor(s)
1993A comparison between experimental and theoretical excitation functions for the O+ + H2 (4A'') system using trajectory calculations over a wide energy rangeGonzález Pérez, Miguel; Gilibert, Miquel; Aguilar Navarro, Antonio; Sayós Ortega, Ramón
Sep-2015A strategy for the triarylation of pyrrolopyrimidines by using microwave-promoted cross-coupling reactionsPrieur, Vanessa; Pujol Dilmé, M. Dolors; Guillaumet, Gérald
2003Ab initio study of the two lowest triplet potential energy surfaces involved in the N(4S) + NO(X2Π) reactionGamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón
8-Nov-2006Aplicacions sintètiques dels adductes de Pauson-Khand del norbornadiè. Aproximació a la síntesi de prostaglandines i fitoprostansLledó Ponsatí, Agustí
11-Nov-2011Atomic and molecular oxygen collision processes over some crystalline solidsMorón Tejero, Víctor
19-Jan-2021Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking PointsBofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang
Jan-2014Building the Potential Energy Profiles for electrocyclic and pericyclic organic reactions: cyclobutene ring opening and hydrogenation of ethene by diimideBarba Obón, Ricard M.
3-Feb-1979Cinética de complejos con ligandos tetraciclínicosAguilar Navarro, Antonio
22-Sep-2024CO2 hydrogenation in Ru single atom catalyst encapsulated in silicalite: a DFT and microkinetic modelling studyCánovas Montes, Manuel Antonio; Gracia Gil, Alejandro; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo
18-Dec-2015Col·lisions ió - molècula: reaccions químiques i agregats iònicsLópez Marne, Estefanía
10-Mar-2016Comment on "reaction coordinates and pathways of mechanochemical transformations"Quapp, Wolfgang; Bofill i Villà, Josep M.
14-Nov-2019Comment on 'Exploring potential energy surface with external forces'Quapp, Wolfgang; Bofill i Villà, Josep M.
30-Dec-2015Comment on: Exploring the potential energy landscape of the Thomson problem via Newton homotopiesBofill i Villà, Josep M.
22-Oct-2019Computational exploration of NO single-site disproportionation on Fe-MOF-5Jover Modrego, Jesús; Brozek, Carl K.; Dincă, Mircea; López, Núria (López Alonso)
Jun-2017Computational study of organic radicals of technological interest in molecule-based magnetismGarcía Carrillo, Sergio Pablo
13-Feb-1987Desenvolupament i aplicació a l'estudi de reaccions pericícliques d'un mètode biconfiguracional de camp autocoherentBofill i Villà, Josep M.
27-May-2022Determination of thermodynamic properties for the esterification of levulinic acid with 1-buteneCanadell Soler, Eloi; Badia i Córcoles, Jordi Hug; Ramírez Rangel, Eliana; Fité Piquer, Carles; Iborra Urios, Montserrat; Tejero Salvador, Xavier
27-May-2022Determination of thermodynamic properties for the esterification of levulinic acid with 1-buteneCanadell Soler, Eloi; Badia i Córcoles, Jordi Hug; Ramírez Rangel, Eliana; Fité Piquer, Carles; Iborra Urios, Montserrat; Tejero Salvador, Xavier
10-May-2024Development of Iron-Catalyzed Hydrogen Atom Transfer Driven Cross-Coupling and Cyclization Reactions: Use of Isocyanides, Heterocycles and Tosylhydrazones as Radical AcceptorsPuig Bosch, Jordi
11-Mar-2020Dioxygen Binding and Sensing ProteinsEstrín, Darío; Luque Garriga, F. Xavier; Ilangovan, Govindasamy; Zweier, Jay L