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S'han trobat 163 ítems

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out url icon Recercat H2 oxidation versus organic substrate oxidation in non-heme iron mediated reactions with H2O2 Hassanpour, Azin ; Acuña-Parés, Ferran ; Luis Luis, Josep Maria ; Cussó Forest, Olaf ; Morales de la Rosa, Silvia ; Campos-Martín, José Miguel ; Fierro, Jose L.G. ; Costas Salgueiro, Miquel ; Lloret Fillol, Julio ; Mas-Ballesté, Rubén
doc icon DUGiDocs 2015 H2 oxidation versus organic substrate oxidation in non-heme iron mediated reactions with H2O2 Hassanpour, Azin ; Acuña-Parés, Ferran ; Luis Luis, Josep Maria ; Cussó Forest, Olaf ; Morales de la Rosa, Silvia ; Campos Martín, José Miguel ; Fierro, Jose L.G. ; Costas Salgueiro, Miquel ; Lloret Fillol, Julio ; Mas-Ballesté, Rubén
doc icon DUGiDocs 2004 The hardness profile as a tool to detect spurious stationary points in the potential energy surface Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
out url icon Recercat The hardness profile as a tool to detect spurious stationary points in the potential energy surface Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
doc icon DUGiDocs juliol 2023 Implementation of a fast method for the evaluation of the effect of external electric fields on catalysis Pey Costa, Guillem
doc icon DUGiDocs 2002 Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Iron and Manganese Catalysts for the Selective Functionalization of Arene C(sp2)-H Bonds by Carbene Insertion Conde Fernández, Ana ; Sabenya, Gerard ; Rodríguez, Mònica ; Postils, Verònica ; Luis Luis, Josep Maria ; Díaz Requejo, M. Mar ; Costas Salgueiro, Miquel ; Pérez, Pedro J.
doc icon DUGiDocs Iron and Manganese Catalysts for the Selective Functionalization of Arene C(sp2)-H Bonds by Carbene Insertion Conde Fernández, Ana ; Sabeña Vila, Gerard ; Rodríguez Serrat, Mònica ; Postils, Verònica ; Luis Luis, Josep Maria ; Díaz Requejo, M. Mar ; Costas Salgueiro, Miquel ; Pérez, Pedro J.
out url icon Recercat Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt- Catalyzed C(sp2)−H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms Planas Fàbrega, Oriol ; Whiteoak, Christopher J. ; Martin- Diaconescu, Vlad ; Gamba, Ilaria ; Luis Luis, Josep Maria ; Parella Coll, Teodor ; Company Casadevall, Anna ; Ribas Salamaña, Xavi
doc icon DUGiDocs 10 octubre 2016 Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt- Catalyzed C(sp2)−H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms Planas Fàbrega, Oriol ; Whiteoak, Christopher J. ; Martin-Diaconescu, Vlad ; Gamba, Ilaria ; Luis Luis, Josep Maria ; Parella Coll, Teodor ; Company Casadevall, Anna ; Ribas Salamaña, Xavi
out url icon Recercat The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
out url icon Recercat 5 juny 2018 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
out url icon Recercat 15 febrer 2020 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 1 novembre 2017 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 2006 Linear response functions for a vibrational configuration interaction state Christiansen, Ove ; Kongsted, Jacob ; Paterson, Martin J. ; Luis Luis, Josep Maria
out url icon Recercat Linear response functions for a vibrational configuration interaction state Christiansen, Ove ; Kongsted, Jacob ; Paterson, Martin J. ; Luis Luis, Josep Maria
out url icon Recercat Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
out url icon Recercat The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing cis-Labile Exchangeable Sites Prat Casellas, Irene ; Company Casadevall, Anna ; Postils, Verònica ; Ribas Salamaña, Xavi ; Que, Lawrence ; Luis Luis, Josep Maria ; Costas Salgueiro, Miquel
doc icon DUGiDocs 2013 The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing cis-Labile Exchangeable Sites Prat Casellas, Irene ; Company Casadevall, Anna ; Postils Ribó, Verònica ; Ribas Salamaña, Xavi ; Que, Lawrence ; Luis Luis, Josep Maria ; Costas Salgueiro, Miquel
out url icon Recercat Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand Company Casadevall, Anna ; Prat Casellas, Irene ; Frisch, Jonathan R. ; Mas-Ballesté, Rubén ; Güell Serra, Mireia ; Juhász, Gergely ; Ribas Salamaña, Xavi ; Münck, Eckard ; Luis Luis, Josep Maria ; Que, Lawrence ; Costas Salgueiro, Miquel
doc icon DUGiDocs 2011 Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand Company Casadevall, Anna ; Prat Casellas, Irene ; Frisch, Jonathan R. ; Mas-Ballesté, Rubén ; Güell Serra, Mireia ; Juhász, Gergely ; Ribas Salamaña, Xavi ; Münck, Eckard ; Luis Luis, Josep Maria ; Que, Lawrence ; Costas Salgueiro, Miquel
doc icon DUGiDocs juny 2015 New Cu-based Dyes for application in Dye Sensitized Solar Cells (DSSC), Organic Light Emitting Diodes (OLEDs) and water splitting : an experimental and computational study Casademont Reig, Irene
out url icon Recercat New Cu-based Dyes for application in Dye Sensitized Solar Cells (DSSC), Organic Light Emitting Diodes (OLEDs) and water splitting : an experimental and computational study Casademont Reig, Irene
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