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Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes |
Osuna Oliveras, Sílvia
; Swart, Marcel
; Solà i Puig, Miquel
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The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes |
Martínez, Juan Pablo
; Solà i Puig, Miquel
; Voityuk, Alexander A.
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The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes |
Martínez, Juan Pablo
; Solà i Puig, Miquel
; Voityuk, Alexander A.
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The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes |
Martínez, Juan Pablo
; Solà i Puig, Miquel
; Voityuk, Alexander A.
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2018 June 1 |
The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes |
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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.
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2020 February 15 |
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.
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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.
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2018 June 1 |
Effect of Incarcerated HF on the Chemical Reactivity of Endohedral HF@C60 |
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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
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2020 February 15 |
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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.
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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.
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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
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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
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