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out url icon Recercat 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 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 López, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat 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
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.
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, Ramon ; 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.
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 1 juny 2018 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
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
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 Metallosupramolecular receptors for fullerene binding and release García Simón, Cristina ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
out url icon Recercat Metallosupramolecular receptors for fullerene binding and release García Simón, Cristina ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2016 Metallosupramolecular receptors for fullerene binding and release García Simón, Cristina ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
doc icon DUGiDocs 10 gener 2025 Multitopic Corannulene-Porphyrin Hosts for Fullerenes: A Three-Layer Scaffold for Precisely Designed Supramolecular Ensembles Álvarez-Llorente, Nerea ; Stasyuk, Anton J. ; Diez-Varga, Alberto ; Solà i Puig, Miquel ; Barbero, Héctor ; Álvarez, Celedonio M.
out url icon Recercat Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) Fenández López, Israel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2014 Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) Fenández López, Israel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 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
out url icon Recercat 1 juny 2018 Photoinduced charge separation in the carbon nano-onion C60@C240
out url icon Recercat 5 juny 2018 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
doc icon DUGiDocs 6 juliol 2016 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
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