Publications

Authors: Youzhi Xu, Sebastian Gsänger, Martin B. Minameyer, Inhar Imaz, Daniel Maspoch, Oleksandr Shyshov, Fabian Schwer, Xavi Ribas, Thomas Drewello, Bernd Meyer, Max von Delius

Journal of the American Chemical Society, 2019, 141, 46, 18500-18507

DOI: 10.1021/jacs.9b08584

Keywords: Aromaticity, Confined space, Fullerenes, Nanocages, Supramolecular chemistry

Open-shell jellium aromaticity in metal clusters

Authors: Jordi Poater, Miquel Solà

Chemical Communications, 2019, 55, 39, 5559-5562

DOI: 10.1039/c9cc02067e

Keywords: Aromaticity, Chemical bonding, Computational chemistry, Density Functional Theory

A flexible self-folding receptor for coronene

Authors: David Lozano, Rubén Álvarez-Yebra, Ricard López-Coll, Agustí Lledó

Chemical Science, 2019, 10, 44, 10351-10355

DOI: 10.1039/c9sc03158h

Keywords: Aromaticity, Computational chemistry, Confined space, Nanocages, Supramolecular chemistry

2018

Steric/π‐Electronic Insulation of the carbo‐Benzene Ring: Dramatic Effects of tert‐Butyl versus Phenyl Crowns on Geometric, Chromophoric, Redox, and Magnetic Properties

Authors: Dymytrii Listunov, Carine Duhayon, Albert Poater, Serge Mazères, Alix Saquet, Valérie Maraval, Remi Chauvin

Chemistry – A European Journal, 2018, 24, 42, 10699-10710

DOI: 10.1002/chem.201800835

Keywords: Ab initio theory, Aromaticity, Computational chemistry, Density Functional Theory, Fullerenes

Carbo‐biphenyls and Carbo‐terphenyls: Oligo(phenylene ethynylene) Ring Carbo‐mers

Authors: Chongwei Zhu, Albert Poater, Carine Duhayon, Brice Kauffmann, Alix Saquet, Valérie Maraval, Remi Chauvin

Angewandte Chemie International Edition, 2018, 57, 20, 5640-5644

DOI: 10.1002/anie.201713411

Keywords: Aromaticity, Computational chemistry, Density Functional Theory, Molecular similarity, Supramolecular chemistry

Tuning the Strength of the Resonance-Assisted Hydrogen Bond ino-Hydroxybenzaldehyde by Substitution in the Aromatic Ring1

Authors: Gerard Pareras, Marcin Palusiak, Miquel Duran, Miquel Solà, Sílvia Simon

The Journal of Physical Chemistry A, 2018, 122, 8, 2279-2287

DOI: 10.1021/acs.jpca.7b12066

Keywords: Aromaticity, Chemical bonding, Density Functional Theory

Aromaticity Determines the Relative Stability of Kinked vs. Straight Topologies in Polycyclic Aromatic Hydrocarbons

Authors: Jordi Poater, Miquel Duran, Miquel Solà

Frontiers in Chemistry, 2018, 6

DOI: 10.3389/fchem.2018.00561

Keywords: Aromaticity, Chemical bonding, Computational chemistry, Density Functional Theory, Electron delocalization

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

The electronic structure and stability of germanium tubes Ge30H12and Ge33H12

Authors: Long Van Duong, Eduard Matito, Miquel Solà, Hadi Behzadi, Mohammad Jafar Momeni, Minh Tho Nguyen

Physical Chemistry Chemical Physics, 2018, 20, 36, 23467-23479

DOI: 10.1039/c8cp03737j

Keywords: Aromaticity, Chemical bonding, Density Functional Theory, Electron delocalization, Nanocages

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