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doc icon DUGiDocs 2016 November 21 The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes Martínez López, Juan Pablo ; Solà i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat 2018 June 1 The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes
out url icon Recercat 2018 June 5 The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes Martínez López, Juan Pablo ; Solà i Puig, Miquel ; Voityuk, Alexander A.
out url icon Recercat 2018 June 1 Effect of Incarcerated HF on the Chemical Reactivity of Endohedral HF@C60
out url icon Recercat 2018 June 5 Effect of Incarcerated HF on the Chemical Reactivity of Endohedral HF@C60 Vidal, Sara ; Izquierdo, Marta ; Alom, Shamim ; Garcia Borràs, Marc ; Filippone, Salvatore ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Whitby, Richard J. ; Martín, Nazario
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
out url icon Recercat 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 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 2014 January 1 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
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
out url icon Recercat 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 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 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.
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 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
doc icon DUGiDocs 2017 November 1 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 2018 June 1 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
out url icon Recercat 2018 June 5 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
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