At the 14th International Symposium on Macrocyclic and Supramolecular Chemistry (ISMSC) in Lecce (Italy) from 2-6 of June, Ernest won one of the Poster Prizes sponsored by IUPAC, for his poster on “Matryoshka-Like Supramolecular Structure That induce The Regioselective Functionalization of C60”. Congratulations Ernest!
Institut de Química Computacional i Catàlisi
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Michela Milan won the Josep Castells awards from the Real Sociedad Española de Química, Catalan section (RSEQ-Cat) for the best PhD in Chemistry in 2018. She did her PhD in the QBIS-CAT group of the Institute of Computational Chemistry and Catalysis (IQCC) under the supervision of Dr. Miquel Costas and Dr. Massimo Bietti about “Oxidation
Terminal oxo complexes of late transition metals are frequently proposed reactive intermediates. However, they are scarcely known beyond Group?8. Using mass spectrometry, we prepared and characterized two such complexes: [(N4Py)CoIII(O)]+ (1) and [(N4Py)CoIV(O)]2+ (2). Infrared photodissociation spectroscopy revealed that the Co?O bond in 1 is rather strong, in accordance with its lack of chemical reactivity. On the contrary, 2 has a
Steven Roldán, a PhD researcher of the Institute of Computational Chemistry and Catalysis (IQCC) working in the QBIS-CAT group won today the public prize of the contest “Your thesis in 4 minutes” held at the University of Girona. It was the video with more likes. The PhD thesis of Steven, supervised by Dr. Josep M. Luís
The Catalan Institution for Research and Advanced Studies (ICREA) is a foundation promoted by Catalan Government whose aim is to encourage research in Catalonia. Miquel Costas, a researcher member of IQCC and ERC-Starting Grant holder won the ICREA Acadèmia awards 2018 for his research carrier. It is the third time that he receives this award (after
The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference unit in computational chemistry and catalysis that aims at carrying out groundbreaking research on predictive chemistry for catalysis, with special focus on the processes occurring at the confined space for the coming years. One of the pillars
A few months after the discovery how an enzyme stores the energy in our body, researchers of the IQCC have published again a paper in Nature. Ferran Feixas and Sílvia Osuna provided the computational chemistry support for the discovery that a protein related to cell stress (p38g) regulates cell division. The activation of this protein is essential
A group of chemists from the Euskal Herriko Unibertsitatea (UPV/EHU) and the Donostia International Physics Center (DIPC) lead by Dr. Eduard Matito (ex-member IQCC) together with the IQCC members Mauricio Rodríguez-Mayorga (now in ETH Zurich, Switzerland) and Dr. Miquel Solà, have studied the Coulomb hole of Ne from highly-accurate CISD wave functions obtained from optimized even-tempered basis sets.
The constant environmental pollution due to different toxic products derived from oil-based industries is nowadays a worldwide problem. Specifically, the toxic products of anthropic origin are not always possible to contain, which makes it necessary to intervene in its decontamination. This challenge can be achieved by breaking down the toxic products using specific bacteria that
Oxoiron(IV) species are the active oxidants in catalytic oxidation reactions by nonheme iron enzymes, but have been rarely captured and/or identified as the actual oxidizing species in catalytic epoxidation or hydroxylation reactions involving synthetic nonheme iron complexes. We now report the generation of a nonheme oxoiron(IV) intermediate, [(cyclam)FeIV(O)(CH3CN)]2+ (2; cyclam = 1,4,8,11-tetraazacyclotetradecane), in the reactions