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Erik Andris, Rafael Navrátil, Juraj Jašík, Gerard Sabenya, Miquel Costas, Martin Srnec and Jana Roithová
Detection of Indistinct Fe−N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy


Chem. Eur. J., 2018, [], []
DOI: 10.1002/chem.201705307
Keywords: Density Functional Theory, High-valent metal complexes, Spectroscopy, Reaction mechanisms

Diego Vidal, Giorgio Olivo and Miquel Costas
Controlling selectivity in aliphatic C-H oxidation via supramolecular recognition
Chem. Eur. J., 2018, [], []
DOI: 10.1002/chem.201704852
Keywords: Oxidation, Supramolecular chemistry

Cédric Colomban, Carles Fuertes-Espinosa, Sébastien Goeb, Marc Sallé, Miquel Costas, Lluís Blancafort and Xavi Ribas
Self-assembled Cofacial Zinc Porphyrin Supramolecular Nanocapsules as tuneable 1O2 Photosensitizers
Chem. Eur. J., 2018, [], []
DOI: 10.1002/chem.201705531
Keywords: Fullerenes, Nanocages, Photochemistry, Supramolecular chemistry

Octavio González-del Moral, Arnau Call, federico Franco, Alicia Moya, Josep Antonio Nieto-Rodríguez, María Frias, Jose L. G. Fierro, Miquel Costas, Julio Lloret-Fillol, José Alemá and Rubén Mas-Bassesté
Bioinspired Electro-Organocatalytic Material Efficient for Hydrogen Production
Chem. Eur. J., 2018, [], []
DOI: 10.1002/chem.201705655
Keywords: Sustainable Catalysis

Cédric Colomban, Vlad Martin-Diaconescu, Teodor Parella, Sébastien Goeb, Cristina García-Simón, Julio Lloret-Fillol, Miquel Costas and Xavi Ribas
Design of Zn-, Cu-, and Fe-Coordination Complexes Confined in a Self-Assembled Nanocage
Inorg. Chem., 2018, [], []
DOI: 10.1021/acs.inorgchem.7b02852
Keywords: Supramolecular chemistry

Gerard Pareras, Marcin Palusiak, Miquel Duran, Miquel Solà and Silvia Simon
Tuning the Strength of the Resonance-Assisted Hydrogen Bond in o-hydroxybenzaldehyde by Substitution in the Aromatic Ring
J. Phys. Chem. A, 2018, [], []
DOI: 10.1021/acs.jpca.7b12066
Keywords: Aromaticity, Chemical bonding, Density Functional Theory

Mauricio Rodríguez Mayorga, Mireia Via-Nadal, Miquel Solà, Jesus M. Ugalde, Xabier Lopez and Eduard Matito
Electron-Pair Distribution in Chemical Bond Formation
J. Phys. Chem. A, 2018, [], []
DOI: 10.1021/acs.jpca.7b12556
Keywords: Ab initio theory, Chemical bonding, Density Functional Theory, Method development

Ouissam El Bakouri, Marc Garcia-Borràs, Rosa M. Girón, Salvatore Filippone, Nazario Martín and Miquel Solà
On the regioselectivity of the Diels–Alder cycloaddition to C60 in high spin states
Phys. Chem. Chem. Phys., 2018, [], []
DOI: 10.1039/C7CP07965F
Keywords: Aromaticity, Cycloaddition, Density Functional Theory, Fullerenes, Photochemistry

Michael Trose, Fady Nahra, Albert Poater, David B. Cordes, Alexandra M. Z. Slawin, Luigi Cavallo and Catherine S. J. Cazin
Investigating the Structure and Reactivity of Azolyl-Based Copper(I)–NHC Complexes: The Role of the Anionic Ligand
ACS Catal, 2017, 7, 8176–8183
DOI: 10.1021/acscatal.7b02737
Keywords: Catalysis, Chemical bonding, Computational chemistry, Predictive Chemistry, Reaction mechanisms

Olaf Cussó, Joan Serrano-Plana, and Miquel Costas
Evidence of a sole oxygen atom transfer agent in asymmetric epoxidations with Fe-pdp catalysts
ACS Catal., 2017, 7, 5046-5053
DOI: 10.1021/acscatal.7b01184

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