Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper(I) complex

by Albert Poater, Miquel Solà
Published 2013-03-01

Effect of Exocyclic Substituents and π‑System Length on the Electronic Structure of Chichibabin Diradical(oid)s

by Sílvia Escayola, Marc Callís, Albert Poater, Miquel Solà
Published 2019-06-01

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

by Jordi Poater, Jordi Poater, Miquel Duran, Miquel Solà
Published 2018-11-01

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity

by Miquel Solà, Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater
Published 2010-06-01

Special Collection: Computational Chemistry

by Prof. Dr. Miquel Solà, Prof. Dr. Frank De Proft, Prof. Dr. F. Matthias Bickelhaupt
Published 2019-07-01

Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes

by Verònica Postils, Maud Saint-André, Amy Timmins, Xiao-Xi Li, Yong Wang, Josep M. Luis, Miquel Solà, Sam P. de Visser
Published 2018-07-01