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2019

All‐Fullerene Electron Donor–Acceptor Conjugates

Authors: Marta Izquierdo, Benedikt Platzer, Anton J. Stasyuk, Olga A. Stasyuk, Alexander A. Voityuk, Sergio Cuesta, Miquel Solà, Dirk M. Guldi, Nazario Martín

Angewandte Chemie International Edition, 2019, 58, 21, 6932-6937

DOI: 10.1002/anie.201901863

Keywords: Cycloaddition, Electron and energy transfer, Endohedral fullerenes, Excited states, Fullerenes

Enhanced Open-Circuit Voltage in Perovskite Solar Cells with Open-Cage [60]Fullerene Derivatives as Electron-Transporting Materials

Authors: Edison Castro, Albert Artigas, Anna Pla-Quintana, Anna Roglans, Fang Liu, Frank Perez, Agustí Lledó, X.-Y. Zhu, Luis Echegoyen

Materials, 2019, 12, 8, 1314

DOI: 10.3390/ma12081314

Keywords: Catalysis, Cycloaddition, Fullerenes

Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C60 and cyclopentadiene

Authors: Nery Villegas-Escobar, Albert Poater, Miquel Solà, Henry F. Schaefer, Alejandro Toro-Labbé

Physical Chemistry Chemical Physics, 2019, 21, 9, 5039-5048

DOI: 10.1039/c8cp07626j

Keywords: Chemical bonding, Computational chemistry, Cycloaddition, Density Functional Theory, Fullerenes

2018

Chiral Induction in [2+2+2] Cycloaddition Reactions

Authors: Anna Pla‐Quintana, Anna Roglans

Asian Journal of Organic Chemistry, 2018, 7, 9, 1706-1718

DOI: 10.1002/ajoc.201800291

Keywords: Cycloaddition, Organometallics

Expeditious Preparation of Open‐Cage Fullerenes by Rhodium(I)‐Catalyzed [2+2+2] Cycloaddition of Diynes and C60: An Experimental and Theoretical Study

Authors: Albert Artigas, Anna Pla‐Quintana, Agustí Lledó, Anna Roglans, Miquel Solà

Chemistry – A European Journal, 2018, 24, 42, 10561-10561

DOI: 10.1002/chem.201803107

Keywords: Catalysis, Cycloaddition, Density Functional Theory, Fullerenes, Reaction mechanisms

Rationalizing the Regioselectivity of the Diels–Alder Biscycloaddition of Fullerenes

Authors: Yago García-Rodeja, Miquel Solà, Israel Fernández

The Journal of Organic Chemistry, 2018, 83, 6, 3285-3292

DOI: 10.1021/acs.joc.8b00218

Keywords: Cycloaddition, Density Functional Theory, Fullerenes, Reaction mechanisms

On the regioselectivity of the Diels–Alder cycloaddition to C60 in high spin states

Authors: Ouissam El Bakouri, Marc Garcia-Borràs, Rosa M. Girón, Salvatore Filippone, Nazario Martín, Miquel Solà

Physical Chemistry Chemical Physics, 2018, 20, 17, 11577-11585

DOI: 10.1039/c7cp07965f

Keywords: Aromaticity, Cycloaddition, Density Functional Theory, Fullerenes, Spin states

Influence of the charge on the reactivity of azafullerenes

Authors: Yago García-Rodeja, Miquel Solà, Israel Fernández

Physical Chemistry Chemical Physics, 2018, 20, 44, 28011-28018

DOI: 10.1039/c8cp06031b

Keywords: Computational chemistry, Cycloaddition, Density Functional Theory, Fullerenes, Reaction mechanisms

2017

The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes

Authors: Marc Garcia-Borràs, Josep M. Luis, Miquel Solà, Sílvia Osuna

Inorganica Chimica Acta, 2017, 468, 38-48

DOI: 10.1016/j.ica.2017.07.044

Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Endohedral fullerenes

Effect of incarcerated HF on the exohedral chemical reactivity of HF@C60

Authors: Sara Vidal, Marta Izquierdo, Shamim Alom, Marc Garcia-Borràs, Salvatore Filippone, Sílvia Osuna, Miquel Solà, Richard J. Whitby, Nazario Martín

Chemical Communications, 2017, 53, 80, 10993-10996

DOI: 10.1039/c7cc05987f

Keywords: Computational chemistry, Confined space, Cycloaddition, Density Functional Theory, Endohedral fullerenes

2009

Cycloaddition Reactions of Butadiene and 1,3‐Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers

Authors: Sílvia Osuna, Kendall N. Houk

Chemistry – A European Journal, 2009, 15, 47, 13219-13231

DOI: 10.1002/chem.200901761

Keywords: Cycloaddition, Density Functional Theory, Fullerenes

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