Publications

More filters

Results: 1868

Jordi Poater, Clara Viñas, David Olid, Miquel Solà, Francesc Teixidor
Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN]‐. Clar has the Answer
Angew. Chem. Int. Ed., 2022, 61, e202200672
DOI: 10.1002/anie.202200672
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Density Functional Theory, Electron delocalization

Charafa Souilah, Sergio A.V. Jannuzzi, Derya Demirbas, Sergei Ivlev, Marcel Swart, Serena DeBeer, Alicia Casitas
Synthesis of Fe^III and Fe^IV Cyanide Complexes Using Hypervalent Iodine Reagents as Cyano‐Transfer One‐Electron Oxidants
Angew. Chem. Int. Ed., 2022, 61, e202201699
DOI: 10.1002/anie.202201699
OpenAccess: Link
Keywords: Catalysis, Computational chemistry, High-valent metal complexes, Organometallics, Homogeneous catalysis

Laia Vicens, Giorgio Olivo, Miquel Costas
Remote Amino Acid Recognition Enables Effective Hydrogen Peroxide Activation at a Manganese Oxidation Catalyst
Angewandte Chemie Intl Edit, 2022, 61, e202114932
DOI: 10.1002/anie.202114932
OpenAccess: Link
Keywords: Catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry, Sustainable Catalysis

A. Sevillano Chapartegui, M. Rodriguez, M. Costas, X. Ribas, S. Ruiz-Martinez, T. Puig
38P New tetraamine compounds targeting BCSCs from chemoresistant basal-like TNBC subtypes
Annals of Oncology, 2022, 33, S17-
DOI: 10.1016/j.annonc.2022.01.047
OpenAccess: –
Keywords: High-valent metal complexes

Arash Shams, Samahe Sadjadi, Josep Duran, Sílvia Simon, Albert Poater, Naeimeh Bahri-Laleh
Effect of support hydrophobicity of halloysite‐based catalysts on the polyalphaolefin hydrofinishing performance
Appl. Organomet. Chem., 2022, 36, e6719
DOI: 10.1002/aoc.6719
OpenAccess: Link
Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Zahra Asadi, Samahe Sadjadi, Mehdi Nekoomanesh-Haghighi, Sergio Posada-Pérez, Miquel Solà, Naeimeh Bahri-Laleh, Albert Poater
Lubricant hydrogenation over a functionalized clay‐based Pd catalyst: A combined computational and experimental study
Applied Organom Chemis, 2022, 36, e6850
DOI: 10.1002/aoc.6850
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Supramolecular chemistry

Eva Pump, Albert Poater, Naeimeh Bahri-Laleh, Raffaele Credendino, Luigi Serra, Vittorio Scarano, Luigi Cavallo
Regio, stereo and chemoselectivity of 2nd generation Grubbs ruthenium-catalyzed olefin metathesis
Catal. Today, 2022, 388-389, 394-402
DOI: 10.1016/j.cattod.2020.04.071
OpenAccess: –
Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Míriam Pujals, Tània Pèlachs, Carles Fuertes-Espinosa, Teodor Parella, Marc Garcia-Borràs, Xavi Ribas
Regioselective access to orthogonal Diels-Alder C60 bis-adducts and tris-heteroadducts via supramolecular mask strategy
Cell Reports Physical Science, 2022, 3, 100992-
DOI: 10.1016/j.xcrp.2022.100992
OpenAccess: Link
Keywords: Confined space, Fullerenes, Nanocages, Predictive Chemistry, Supramolecular chemistry

Albert Poater
Never too late: Stereoselective alkyne semi-hydrogenation by Ir catalysis
Chem Catalysis, 2022, 2, 1245-1246
DOI: 10.1016/j.checat.2022.05.025
OpenAccess: –
Keywords: Catalysis, Chemical bonding, Organometallics, Sustainable Catalysis

Michele Tomasini, Lucia Caporaso, Jonathan Trouvé, Jordi Poater, Rafael Gramage-Doria, Albert Poater
Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations
Chem-Eur. J., 2022, 28, e202201970
DOI: 10.1002/chem.202201970
OpenAccess: –
Keywords: Catalysis, Organometallics, Sustainable Catalysis