Fullerenes

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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.
out url icon Recercat Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
doc icon DUGiDocs agost 2013 Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
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 22 juliol 2013 Corrigendum: Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability (Chemistry - A European Journal (2013) 19 DOI:10.1002/chem.201203517) Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
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 21 novembre 2016 The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes Martínez, Juan Pablo ; Solà i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes Martínez, Juan Pablo ; Solà i Puig, Miquel ; Voityuk, Alexander A.
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
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
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 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 2016 Metallosupramolecular receptors for fullerene binding and release García Simón, Cristina ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2014 Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) Fernández, Israel ; Solà i Puig, Miquel ; Bickelhaupt, Friedrich Matthias
doc icon DUGiDocs 6 juliol 2016 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
out url icon Recercat Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
doc icon DUGiDocs 7 desembre 2016 Predicting and Understanding the Reactivity of Aza[60]fullerenes García-Rodeja, Yago ; Solà i Puig, Miquel ; Fernández, Israel
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