Showing results 1 to 20 of 80
next >
Issue Date | Title | Author(s) |
1993 | A comparison between experimental and theoretical excitation functions for the O+ + H2 (4A'') system using trajectory calculations over a wide energy range | González Pérez, Miguel; Gilibert, Miquel; Aguilar Navarro, Antonio; Sayós Ortega, Ramón |
Sep-2015 | A strategy for the triarylation of pyrrolopyrimidines by using microwave-promoted cross-coupling reactions | Prieur, Vanessa; Pujol Dilmé, M. Dolors; Guillaumet, Gérald |
2003 | Ab initio study of the two lowest triplet potential energy surfaces involved in the N(4S) + NO(X2Π) reaction | Gamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón |
8-Nov-2006 | Aplicacions sintètiques dels adductes de Pauson-Khand del norbornadiè. Aproximació a la síntesi de prostaglandines i fitoprostans | Lledó Ponsatí, Agustí |
11-Nov-2011 | Atomic and molecular oxygen collision processes over some crystalline solids | Morón Tejero, Víctor |
19-Jan-2021 | Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking Points | Bofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang |
Jan-2014 | Building the Potential Energy Profiles for electrocyclic and pericyclic organic reactions: cyclobutene ring opening and hydrogenation of ethene by diimide | Barba Obón, Ricard M. |
3-Feb-1979 | Cinética de complejos con ligandos tetraciclínicos | Aguilar Navarro, Antonio |
22-Sep-2024 | CO2 hydrogenation in Ru single atom catalyst encapsulated in silicalite: a DFT and microkinetic modelling study | Cánovas Montes, Manuel Antonio; Gracia Gil, Alejandro; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo |
18-Dec-2015 | Col·lisions ió - molècula: reaccions químiques i agregats iònics | López Marne, Estefanía |
10-Mar-2016 | Comment on "reaction coordinates and pathways of mechanochemical transformations" | Quapp, Wolfgang; Bofill i Villà, Josep M. |
14-Nov-2019 | Comment on 'Exploring potential energy surface with external forces' | Quapp, Wolfgang; Bofill i Villà, Josep M. |
30-Dec-2015 | Comment on: Exploring the potential energy landscape of the Thomson problem via Newton homotopies | Bofill i Villà, Josep M. |
22-Oct-2019 | Computational exploration of NO single-site disproportionation on Fe-MOF-5 | Jover Modrego, Jesús; Brozek, Carl K.; Dincă, Mircea; López, Núria (López Alonso) |
Jun-2017 | Computational study of organic radicals of technological interest in molecule-based magnetism | García Carrillo, Sergio Pablo |
13-Feb-1987 | Desenvolupament i aplicació a l'estudi de reaccions pericícliques d'un mètode biconfiguracional de camp autocoherent | Bofill i Villà, Josep M. |
27-May-2022 | Determination of thermodynamic properties for the esterification of levulinic acid with 1-butene | Canadell Soler, Eloi; Badia i Córcoles, Jordi Hug; Ramírez Rangel, Eliana; Fité Piquer, Carles; Iborra Urios, Montserrat; Tejero Salvador, Xavier |
27-May-2022 | Determination of thermodynamic properties for the esterification of levulinic acid with 1-butene | Canadell Soler, Eloi; Badia i Córcoles, Jordi Hug; Ramírez Rangel, Eliana; Fité Piquer, Carles; Iborra Urios, Montserrat; Tejero Salvador, Xavier |
10-May-2024 | Development of Iron-Catalyzed Hydrogen Atom Transfer Driven Cross-Coupling and Cyclization Reactions: Use of Isocyanides, Heterocycles and Tosylhydrazones as Radical Acceptors | Puig Bosch, Jordi |
11-Mar-2020 | Dioxygen Binding and Sensing Proteins | Estrín, Darío; Luque Garriga, F. Xavier; Ilangovan, Govindasamy; Zweier, Jay L |