Llistar Títols per Autor "Osuna Oliveras, Sílvia"

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doc icon DUGiDocs 2016 (4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature Martínez, Juan Pablo ; Langa, Fernando ; Bickelhaupt, Friedrich Matthias ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel
out url icon Recercat (4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature Martínez, Juan Pablo ; Langa, Fernando ; Bickelhaupt, F. Matthias ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel-Hirsch adducts Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Echegoyen, Luis A. ; Solà i Puig, Miquel
doc icon DUGiDocs 16 setembre 2015 Bis-1,3-dipolar Cycloadditions on Endohedral Fullerenes M3N@Ih‑C80 (M = Sc, Lu): Remarkable Endohedral-Cluster Regiochemical Control Cerón, Maira R. ; Izquierdo, Marta ; Garcia Borràs, Marc ; Lee, Sarah S. ; Osuna Oliveras, Sílvia ; Echegoyen, Luis A.
doc icon DUGiDocs 25 octubre 2013 A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 6 setembre 2016 Computational tools for the evaluation of laboratory-engineered biocatalysts Romero Rivera, Adrián ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia
out url icon Recercat Computational tools for the evaluation of laboratory-engineered biocatalysts Romero Rivera, Adrián ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 2011 Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes Osuna Oliveras, Sílvia ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
doc icon DUGiDocs 2015 Enantiospecific cis-trans isomerization in chiral fulleropyrrolidines : Hydrogen-bonding assistance in the carbanion stabilization in H2O@C60 Maroto, Enrique E. ; Mateos, Jaime ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Filippone, Salvatore ; Herranz, María Ángeles ; Murata, Yasujiro ; Solà i Puig, Miquel ; Martín, Nazario
doc icon DUGiDocs 2015 Endohedral metal-induced regioselective formation of bis-prato adduct of Y3N@ Ih-C80 and Gd3N@ Ih-C80 Aroua, Safwan ; Garcia Borràs, Marc ; Bölter, Marc Florian ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
out url icon Recercat Essential factors for control of the equilibrium in the reversible rearrangement of M3N@Ih-C80 fulleropyrrolidines: Exohedral functional groups versus endohedral metal clusters Aroua, Safwan ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
doc icon DUGiDocs 1 gener 2014 Essential factors for control of the equilibrium in the reversible rearrangement of M3N@Ih-C80 fulleropyrrolidines: Exohedral functional groups versus endohedral metal clusters Aroua, Safwan ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
doc icon DUGiDocs 2012 The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria-Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 18 abril 2017 Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase Maria-Solano, Miguel A. ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia
doc icon DUGiDocs 2015 Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study Martínez, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2012 The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramón ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
doc icon DUGiDocs 2012 Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
doc icon DUGiDocs 2015 Interplay between R513 methylation and S516 phosphorylation of the cardiac voltage-gated sodium channel Beltrán-Álvarez, Pedro ; Feixas Geronès, Ferran ; Osuna Oliveras, Sílvia ; Díaz-Hernández, Rubí ; Brugada, Ramon ; Pagans i Lista, Sara
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
doc icon DUGiDocs 2015 Molecular dynamics explorations of active site structure in designed and evolved enzymes Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
doc icon DUGiDocs setembre 2016 Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor Estévez Gay, Miquel
doc icon DUGiDocs 21 març 2017 Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
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