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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
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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.
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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
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6 setembre 2016 |
Computational tools for the evaluation of laboratory-engineered biocatalysts |
Romero Rivera, Adrián
; Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
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Computational tools for the evaluation of laboratory-engineered biocatalysts |
Romero Rivera, Adrián
; Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
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14 gener 2014 |
Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert C.
; Luis Luis, Josep Maria
; Garcia Borràs, Marc
; Kirtman, Bernard
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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
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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
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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
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14 agost 2012 |
Electronic and vibrational nonlinear optical properties of five representative electrides |
Garcia Borràs, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
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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
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2015 |
Endohedral metal-induced regioselective formation of bis-prato adduct of Y3N@ Ih-C80 and Gd3N@ Ih-C80 |
Aroua, Safwan
; Garcia Borràs, Marc
; Bölter, Marc Florian
; 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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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
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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
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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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2013 |
A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia Borràs, Marc
; Solà i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert C.
; Luis Luis, Josep Maria
; Kirtman, Bernard
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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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12 febrer 2015 |
On the existence and characterization of molecular electrides |
Postils, Verònica
; Garcia Borràs, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Matito i Gras, Eduard
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On the existence and characterization of molecular electrides |
Postils, Verònica
; Garcia Borràs, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Matito i Gras, Eduard
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On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
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19 juliol 2016 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
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21 març 2017 |
Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
|
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Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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2016 |
Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C2v-C82 |
Martínez, Juan Pablo
; Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Poater i Teixidor, Jordi
; Bickelhaupt, Friedrich Matthias
; Solà i Puig, Miquel
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