Publications

More filters

Results: 22

Xingmao Chang, Ashley J. Redman, Linda Zedler, Louis Blechschmidt, Adriana Sacristán‐Martín, Fabian Schwer, Inhar Imaz, Markus P. B. Wiedmaier, Xavi Ribas, Daniel Maspoch, Benjamin Dietzek‐Ivanšić, Sabine Richert, Max von Delius
Rigidifying Qubit Candidates in a Cu‐Porphyrin Nanohoop: Dipolar Coupling in Spin Pairs and Spin‐Polarized Ground State
Angew Chem Int Ed, 2026, 65, e22950
DOI: 10.1002/anie.202522950
OpenAccess: Link
Keywords: Confined space, Nanomaterials, Supramolecular chemistry

Carles Fuertes-Espinosa, Clara Sabrià, Judith Sala, Lorena Capdevila, Ferran Feixas, Xavi Ribas
Interphasic separation ofcis /trans perylene-based nanographene isomers driven by selective encapsulation in a supramolecular cage
Chem. Commun., 2026, [], ASAP-
DOI: 10.1039/D5CC06794D
OpenAccess: Link
Keywords: Joint Exp-Comp, Molecular Dynamics interactions, Nanocages, Nanomaterials, Supramolecular chemistry

Ping-Yuan Lee, Barbara M. Maciejewska, Mathew J. Cross, Chloe M. van Beek, Claire N. Brodie, Athul S. Bhaskaran, George T. Tebbutt, Ryan M. Schofield, Samuel J. Page, Ed Darnbrough, Marcel Swart, Andrew S. Weller, Nicole Grobert
A straightforward route to hexagonal-boron nitride fibers
Adv Compos Hybrid Mater, 2025, 8, 392
DOI: 10.1007/s42114-025-01418-7
OpenAccess: Link
Keywords: Joint Exp-Comp, Nanomaterials, Spectroscopy

Roger Monreal-Corona, Lole Jurado, Hiroya Ishikawa, Martí Gimferrer, Albert Poater, Luis F. Bobadilla, M. Rosa Axet, Sergio Posada-Pérez
Computational and experimental insights into single-atom catalysts supported on g-C3N4: Unraveling the superior stability and catalytic activity of Rh in hydroformylation reactions
Applied Surface Science, 2025, 698, 163050-
DOI: 10.1016/j.apsusc.2025.163050
OpenAccess: Link
Keywords: Computational chemistry, Joint Exp-Comp, Nanomaterials, Predictive Chemistry, Reaction mechanisms

Zahra Noori, Miquel Solà, Clara Viñas, Francesc Teixidor, Jordi Poater
Unraveling aromaticity: the dual worlds of pyrazole, pyrazoline, and 3D carborane
Beilstein J. Org. Chem., 2025, 21, 412-420
DOI: 10.3762/bjoc.21.29
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Miquel Solà, Alvaro Muñoz-Castro
Aromaticity of All-Metal Clusters
Chem. Commun., 2025, 61, 14280-14291
DOI: 10.1039/D5CC03842A
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Nanomaterials

O. A. Stasyuk, C. Curutchet, A. J. Stasyuk
Mechanical Strain‐Controlled Aromaticity in Cyclo[n]Carbons
Chemistry A European J, 2025, 31, e01598
DOI: 10.1002/chem.202501598
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Lorena Capdevila, Judith Sala, Cristina Berga, Araceli de Aquino, Teodor Parella, Lluís Blancafort, Laura Rodríguez, Sílvia Simon, Xavi Ribas
Shortcut to Highly Fluorescent Perylene Derivatives: From Fluoranthene Fissure‐Coupling to Late‐Stage Aromatic Extension
ChemistryEurope, 2025, 3, e202500102
DOI: 10.1002/ceur.202500102
OpenAccess: Link
Keywords: Aromaticity, Nanomaterials, Reaction mechanisms

O. A. Stasyuk, G. George, C. Curutchet, F. Plasser, A. J. Stasyuk
The (Anti)aromatic Properties of Cyclo[n]Carbons: Myth or Reality?
J Comput Chem, 2025, 46, e70283
DOI: 10.1002/jcc.70283
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Eoin M. O’Sullivan, Nicole Grobert, Marcel Swart
Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo Activity
J. Phys. Chem. C, 2025, 129, 638-647
DOI: 10.1021/acs.jpcc.4c06121
OpenAccess: Link
Keywords: Computational chemistry, Nanomaterials, Spectroscopy