Results: 1729
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 Alemán, Rubén Mas-Ballesté
Bioinspired Electro-Organocatalytic Material Efficient for Hydrogen Production
Chem. Eur. J., 2018, 24, 3305
DOI: 10.1002/chem.201705655Keywords: Sustainable Catalysis
Cédric Colomban, Carles Fuertes-Espinosa, Sébastien Goeb, Marc Sallé, Miquel Costas, Lluís Blancafort, Xavi Ribas
Self-assembled Cofacial Zinc Porphyrin Supramolecular Nanocapsules as tuneable 1O2 Photosensitizers
Chem. Eur. J., 2018, 24, 4371
DOI: 10.1002/chem.201705531Keywords: Fullerenes, Nanocages, Photochemistry, Supramolecular chemistry, Light-driven synthesis
Diego Vidal, Giorgio Olivo, Miquel Costas
Controlling selectivity in aliphatic C-H oxidation via supramolecular recognition
Chem. Eur. J., 2018, 24, 5042-5054
DOI: 10.1002/chem.201704852Keywords: Oxidation, Supramolecular chemistry
Filip Vlahovic, Maja Gruden, Marcel Swart
Rotating Iron and Titanium Sandwich Complexes
Chem. Eur. J., 2018, 24, 5070-5073
DOI: 10.1002/chem.201704829Keywords: Chemical bonding, Density Functional Theory, Organometallics
Erik Andris, Rafael Navrátil, Juraj Jašík, Gerard Sabenya, Miquel Costas, Martin Srnec, Jana Roithová
Detection of Indistinct Fe−N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy
Chem. Eur. J., 2018, 24, 5078-5081
DOI: 10.1002/chem.201705307Keywords: Density Functional Theory, High-valent metal complexes, Spectroscopy, Reaction mechanisms
Daniel F.A.R. Dourado, Marcel Swart, Alexandra Teresa Pires Carvalho
Why the flavin dinucleotide cofactor needs to be covalently linked to Complex II of the electron transport chain for conversion of FADH2 to FAD
Chem. Eur. J., 2018, 24, 5246-5252
DOI: 10.1002/chem.201704622Keywords: Computational chemistry, Metalloproteins, Electron and energy transfer, Reaction mechanisms, Molecular Dynamics simulations
Joan Serrano-Plana, Ferran Acuña-Parés, Valeria Dantignana, Williamson N. Oloo, Esther Castillo, Apparao Draksharapu, Christopher J. Whiteoak, Vlad Martin-Diaconescu, Manuel G. Basallote, Josep M. Luis, Lawrence Que, Miquel Costas, Anna Company
Acid-triggered O-O bond heterolysis of a nonheme FeIII(OOH) species for the stereospecific hydroxylation of strong C-H bonds
Chem. Eur. J., 2018, 24, 5331-5340
DOI: 10.1002/chem.201704851Keywords: Oxidation, Reaction mechanisms, Spectroscopy, Density Functional Theory, Computational chemistry
Alexis Lator, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud
Iron-Catalyzed Chemoselective Reduction of α,β-Unsaturated Ketones
Chem. Eur. J., 2018, 24, 5770-5774
DOI: 10.1002/chem.201800995Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms
Ouissam El Bakouri, Verònica Postils, Marc Garcia-Borràs, Miquel Duran, Josep M. Luis, Simone Calvello, Alessandro Soncini, Eduard Matito, Ferran Feixas, Miquel Solà
Metal Cluster Electrides: a new Type of Molecular Electrides with Delocalised Polyattractor Character
Chem. Eur. J., 2018, 24, 9853-9859
DOI: 10.1002/chem.201800878Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, Electron delocalization, Real-space analysis
Jamie Conyard, Ismael A. Heisler, Yohan Chan, Philip C. Bulman Page, Stephen R. Meech, Lluís Blancafort
A new twist in the photophysics of the GFP chromophore: a volume-conserving molecular torsion couple
Chem. Sci., 2018, 9, 1803-1812
DOI: 10.1039/c7sc04091aKeywords: Computational chemistry, Confined space, Excited states, Photochemistry, Spectroscopy