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Results: 9

Míriam Pujals, Tània Pèlachs, Carles Fuertes-Espinosa, Teodor Parella, Marc Garcia-Borràs, Xavi Ribas
Regioselective access to orthogonal Diels-Alder C60 bis-adducts and tris-heteroadducts via supramolecular mask strategy
Cell Reports Physical Science, 2022, 3, 100992-
DOI: 10.1016/j.xcrp.2022.100992
Keywords: Confined space, Fullerenes, Nanocages, Predictive Chemistry, Supramolecular chemistry

Carles Fuertes-Espinosa, Cristina García-Simón, Míriam Pujals, Marc Garcia-Borràs, Laura Gómez, Teodor Parella, Judit Juanhuix, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Supramolecular Fullerene Sponges as Catalytic Masks for Regioselective Functionalization of C60
Chem, 2020, 6, 169-186
DOI: 10.1016/j.chempr.2019.10.010
Keywords: Confined space, Fullerenes, Nanocages, Spectroscopy, Supramolecular chemistry

Olesya Semivrazhskaya, Safwan Aroua, Maxim Yulikov, Adrian Romero-Rivera, Steven Stevenson, Marc Garcia-Borràs, Sílvia Osuna, Yoko Yamakoshi
Regioselective Synthesis and Characterization of Tris- and Tetra-Prato Adducts of M3 N@C80 (M = Y, Gd)
J. Am. Chem. Soc., 2020, 142, 12954-12965
DOI: 10.1021/jacs.9b13768
Keywords: Computational chemistry, Density Functional Theory, Endohedral fullerenes

Cristina García-Simón, Alba Monferrer, Marc Garcia-Borràs, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Size-selective encapsulation of C60 and C60 -derivatives within an adaptable naphthalene-based tetragonal prismatic supramolecular nanocapsule
Chem. Commun., 2019, 55, 798-801
DOI: 10.1039/C8CC07886F
Keywords: Confined space, Fullerenes, Nanocages, Supramolecular chemistry

Olesya Semivrazhskaya, Adrian Romero-Rivera, Safwan Aroua, Sergey I. Troyanov, Marc Garcia-Borràs, Steven Stevenson, Sílvia Osuna, Yoko Yamakoshi
Structures of Gd3 N@C80 Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study
J. Am. Chem. Soc., 2019, 141, 10988-10993
DOI: 10.1021/jacs.9b05603
Keywords: Cycloaddition, Density Functional Theory, Fullerenes

Korinne Liosi, Adrian Romero-Rivera, Olesya Semivrazhskaya, Caravaggio D. Caniglia, Marc Garcia-Borràs, Nils Trapp, Sílvia Osuna, Yoko Yamakoshi
Site-Selectivity of Prato Additions to C70 : Experimental and Theoretical Studies of a New Thermodynamic Product at thedd -[5,6]-Junction
Org. Lett., 2019, 21, 5162-5166
DOI: 10.1021/acs.orglett.9b01756
Keywords: Cycloaddition, Density Functional Theory, Fullerenes

Ouissam El Bakouri, Marc Garcia-Borràs, Rosa M. Girón, Salvatore Filippone, Nazario Martín, Miquel Solà
On the regioselectivity of the Diels–Alder cycloaddition to C60 in high spin states
Phys. Chem. Chem. Phys., 2018, 20, 11577-11585
DOI: 10.1039/C7CP07965F
Keywords: Aromaticity, Cycloaddition, Density Functional Theory, Fullerenes, Photochemistry

Sara Vidal, Marta Izquierdo, Shamim Alom, Marc Garcia-Borràs, Salvatore Filippone, Sílvia Osuna, Miquel Solà, Richard J. Whitby, Nazario Martín
Effect of incarcerated HF on the exohedral chemical reactivity of HF@C60
Chem. Commun., 2017, 10993-10996 , 53
DOI: 10.1039/C7CC05987F
Keywords: Computational chemistry, Confined space, Cycloaddition, Density Functional Theory, Endohedral fullerenes

Marc Garcia-Borràs, Josep M. Luis, Miquel Solà, Sílvia Osuna
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
Inorg. Chim. Acta, 2017, 468, 38-48
DOI: 10.1016/j.ica.2017.07.044
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Endohedral fullerenes

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