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Results: 59

Qin Zhu, Shuwen Chen, Dandan Chen, Lu Lin, Kui Xiao, Liang Zhao, Miquel Solà, Jun Zhu
The application of aromaticity and antiaromaticity to reaction mechanisms
Fundamental Research, 2023, 3, 926-938
DOI: 10.1016/j.fmre.2023.04.004
Keywords: Aromaticity, Cycloaddition, Fullerenes, Reaction mechanisms

Enric Sabater, Miquel Solà, Pedro Salvador, Diego M. Andrada
Cage‐size effects on the encapsulation ofP by fullerenes
J Comput Chem, 2023, 44, 268-277
DOI: 10.1002/jcc.26884
Keywords: Chemical bonding, Confined space, Density Functional Theory, Endohedral fullerenes, Real-space analysis

G. George, O. A. Stasyuk, A. A. Voityuk, A. J. Stasyuk, M. Solà
Aromaticity controls the excited-state properties of host–guest complexes of nanohoops
Nanoscale, 2023, 15, 1221-1229
DOI: 10.1039/D2NR04037A
Keywords: Aromaticity, Electron and energy transfer, Excited states, Fullerenes, Supramolecular chemistry

Simon Zank, JesúsManuel Fernández-García, Anton Stasyuk, Alexander Voityuk, Marcel Krug, Miquel Solà, Dirk Guldi, Nazario Martin
Initiating Electron Transfer in Doubly‐curved Nanographene Upon Supramolecular Complexation of C₆₀
Angew. Chem. Int. Ed., 2022, 61, 1433-7851
DOI: 10.1002/anie.202112834
Keywords: Chemical bonding, Electron and energy transfer, Fullerenes, Supramolecular chemistry, Excited states

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

O.A. Stasyuk, A.J. Stasyuk, Miquel Solà, AlexanderA. Voityuk
The hunter falls prey: photoinduced oxidation of C60 in inclusion complex with perfluorocycloparaphenylene
ChemPhysChem, 2022, 23, e202200226
DOI: 10.1002/cphc.202200226
Keywords: Electron and energy transfer, Fullerenes, Photovoltaic materials, Photochemistry, Supramolecular chemistry

Gibu George, Anton J. Stasyuk, Miquel Solà
Reactivity of the superhalogen/superalkali ion encapsulating C₆₀ fullerenes
Dalton Trans., 2022, 51, 203-210
DOI: 10.1039/D1DT03577K
Keywords: Chemical bonding, Cycloaddition, Electron and energy transfer, Endohedral fullerenes, Photovoltaic materials

Ouissam El Bakouri, Dariusz W. Szczepanik, Kjell Jorner, Rabia Ayub, Patrick Bultinck, Miquel Solà, Henrik Ottosson
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?
J. Am. Chem. Soc., 2022, 144, 8560-8576
DOI: 10.1021/jacs.1c13478
Keywords: Aromaticity, Chemical bonding, Fullerenes, Nanocages

Gerard Pareras, Sílvia Simon, Albert Poater, Miquel Solà
Successive Diels–Alder Cycloadditions of Cyclopentadiene to [10]CPP⊃C₆₀ : A Computational Study
J. Org. Chem., 2022, 87, 5149–5157
DOI: 10.1021/acs.joc.1c03116
Keywords: Cycloaddition, Fullerenes, Reaction mechanisms, Supramolecular chemistry

O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk
Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions
Nanoscale Adv., 2022, 4, 2180-2188
DOI: 10.1039/D2NA00150K
Keywords: Electron and energy transfer, Excited states, Fullerenes, Photovoltaic materials, Supramolecular chemistry