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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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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.
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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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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
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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.
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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.
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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.
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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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1 juny 2018 |
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes |
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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
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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
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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
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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
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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
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Metallosupramolecular receptors for fullerene binding and release |
García Simón, Cristina
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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Metallosupramolecular receptors for fullerene binding and release |
García Simón, Cristina
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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2016 |
Metallosupramolecular receptors for fullerene binding and release |
García Simón, Cristina
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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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.
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Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) |
Fenández López, Israel
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
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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
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Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
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Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
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1 juny 2018 |
Photoinduced charge separation in the carbon nano-onion C60@C240 |
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5 juny 2018 |
Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
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6 juliol 2016 |
Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
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