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Results: 10

Clara Sabrià, Tània Pèlachs, Inhar Imaz, Daniel Maspoch, Ferran Feixas, Xavi Ribas
Supramolecular Purification of Mono-Adamantane Mixtures via Stabilized Three-Shell Matryoshka Assemblies
Chem. Sci., 2026, [], ASAP-
DOI: 10.1039/D6SC02321E
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Non-covalent interactions, Supramolecular chemistry

Anna Pantelia, Tània Pèlachs, Clara Sabrià, Carles Fuertes-Espinosa, Leandros P. Zorba, Georgios Rotas, Ferran Feixas, Xavi Ribas, Georgios C. Vougioukalakis
Multi-addition on nano-encapsulated fullerene derivatives bearing one functional group: Impact of the initial moiety
Next Materials, 2026, 11, 101612-
DOI: 10.1016/j.nxmate.2026.101612
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization, Supramolecular chemistry

Cristina Castanyer, Tània Pèlachs, EliasA. Romero-Cavagnaro, Clara Sabrià, Ferran Feixas, Xavi Ribas, Anna Roglans, Anna Pla-Quintana
Supramolecular masks for the regioselective synthesis of Diels–Alder hetero-tris-adduct C₆₀ fullerene
Org. Chem. Front., 2026, 13, 3341-3348
DOI: 10.1039/D6QO00263C
OpenAccess: Link
Keywords: Confined space, Cycloaddition, Homogeneous catalysis, Nanocages, Regioselectivite functionalization

Tània Pèlachs, Clara Sabrià, Valentina Iannace, Inhar Imaz, Felipe Gándara, Daniel Maspoch, Ferran Feixas, Xavi Ribas
Supramolecular Mask Regioconverter: Orthogonal Diels–Alder C₇₀ Bisadducts by Mask-Mediated Regioselective Synthesis
CCS Chem, 2025, 7, 703-715
DOI: 10.31635/ccschem.024.202405057
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization, Supramolecular chemistry

Fabian M. Steudel, Clara Sabrià, Massimo Delle Piane, Ferran Feixas, Xavi Ribas, Giovanni M. Pavan, Max von Delius
Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C₆₀ [2]catenane
Chem. Sci., 2025, 16, 21908-21916
DOI: 10.1039/D5SC05734E
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Regioselectivite functionalization

Valentina Iannace, Clara Sabrià, Riley D. Schmitt, Ferran Feixas, Steven Stevenson, Xavi Ribas
Supramolecular Length-Dependent Encapsulation of C₉₀ , C₁₀₀ , C₁₂₀ , and C₁₃₀ : a Shape-Selective Approach to Fullertube Purification
J. Am. Chem. Soc., 2025, 147, 36079-36084
DOI: 10.1021/jacs.5c12991
OpenAccess: Link
Keywords: Confined space, Supramolecular chemistry

Valentina Iannace, Clara Sabrià, Youzhi Xu, Maxvon Delius, Inhar Imaz, Daniel Maspoch, Ferran Feixas, Xavi Ribas
Regioswitchable Bingel Bis-Functionalization of Fullerene C₇₀ via Supramolecular Masks
J. Am. Chem. Soc., 2024, 146, 5186-5194
DOI: 10.1021/jacs.3c10808
OpenAccess: Link
Keywords: Confined space, Cycloaddition, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization

Helena Girame, Marc Garcia-Borràs, Ferran Feixas
Changes in Protonation States of In-Pathway Residues can Alter Ligand Binding Pathways Obtained From Spontaneous Binding Molecular Dynamics Simulations
Front. Mol. Biosci., 2022, 9, 922361
DOI: 10.3389/fmolb.2022.922361
OpenAccess: Link
Keywords: Computational chemistry, Confined space, Enzyme design, Reaction mechanisms

Ricard López-Coll, Rubén Álvarez-Yebra, Ferran Feixas, Agustí Lledó
Comprehensive Characterization of the Self‐folding Cavitand  Dynamics
Chem. Eur. J., 2021, 27, 10099-10106
DOI: 10.1002/chem.202100563
OpenAccess: Link
Keywords: Computational chemistry, Confined space, Nanocages, Supramolecular chemistry

M. Rodríguez-Mayorga, Eloy Ramos-Cordoba, Ferran Feixas, Eduard Matito
Electron correlation effects in third-order densities
Phys. Chem. Chem. Phys., 2017, 19, 4522-4529
DOI: 10.1039/C6CP07616E
OpenAccess: –
Keywords: Ab initio theory, Confined space, Method development, Real-space analysis