Last month (August 27-31, 2023) took place the European Conference on Computational and Theoretical Chemistry 2023 (EuChemS CompChem) in Thessaloniki (Greece). Dr. Anton Stasyuk, postdoc researcher in the Prof. Miquel Solà group, presented a talk titled “Aromaticity controls the photoinduced electron transfer in host-guest complexes of nanohoops”, and won the best oral presentation in the Materials Design session. Congratulations
Institut de Química Computacional i Catàlisi
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Last Friday, the Ministry of Science and Innovation annunced that Sílvia Osuna, ICREA research professor at the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG), received the National Research Award for Young Investigators ‘María Teresa Toral’ 2023, in the area of Science and Chemical Technologies, for her outstanding scientific career on the design
The addition of two unsymmetric malonate esters to the Buckminster fullerene C60 can lead to 22 spectroscopically distinguishable isomeric products and therefore represents a formidable synthesis challenge. In this work, we achieve 87?% selectivity for the formation of a single (in,out–trans-3) isomer by combining three approaches: (i) we use a starting material, in which the two
Next week Tuesday will be the defense of the doctoral thesis of Jordi Soler i Parpal, titled “Multiscalar strategies for the characterization of engineered P450 enzymes”, supervised by Prof. Sílvia Osuna and Dr. Marc Garcia-Borràs from IQCC. Place: Sala de Graus de la Facultat de Dret Date: Tuesday September 19th, 2023 Time: 11.00am We wish him good luck and
Every year in June and July since 2008, the UdG is organizing the 13th CampusPreBAT with the aim to offer a set of activities that show an overview of the areas of knowledge in which the UdG works, the studies that can be taken there as well as the services available to 4th ESO students
Ketones are crucial intermediates in synthesis and frequent moieties in many products. The direct regioselective synthesis of ketones from internal alkenes could simplify synthetic routes and solve a long-standing challenge in catalysis. In this work, the groups of Prof. Stephan Hammer (University of Bielefeld, Germany) and Dr. Marc Garcia-Borràs (IQCC), report the laboratory evolution of
Next week Tuesday will be the defense of the doctoral thesis of Laia Vicens Serra, titled “Implementing amino acids in manganese-catalyzed biologically inspired oxidations: g-lactonization and ligand design”, supervised by Prof. Miquel Costas from IQCC. Place: Sala de Graus de la Facultat de Dret Date: Tuesday July 18, 2023 Time: 11.00h We wish her good luck and all
Recently, Sowlati-Hashjin et al. (Nature Communications 13, 2069 (2022)) concluded that the nature of the Li–C chemical bond in LiCF3 differs significantly from that in LiCPh3 (Ph = phenyl). Whereas the Li–C bond of LiCF3 is classified as a conventional two-center two-electron bond (exchange-correlation interaction collectivity index, ICIXC = 0.910, ICIXC > 0.9 and close
Last week (June 25-29, 2023) took place the XXXIX Reunión Bienal 2023 Conference from Real Sociedad Española de Química (RSEQ) in Zaragoza, which included a poster session. Artur Brotons-Rufes, PhD student under the supervision of Dr. Albert Poater, presented a poster titled “A DFT STUDY ON A MACROCYCLIC RUTHENIUM CATALYST FORSELECTIVE CROSS-COUPLING OLEFIN METATHESIS”, and won one of the
Next week Friday will be the defense of the doctoral thesis of Miquel Estévez-Gay, titled “Computational Exploration and Design of Halohydrin Dehalogenase variants with novel synthetically useful functionalities”, supervised by Prof. Sílvia Osuna from IQCC. Place: Aula Magna – Facultat de Ciències Date: Friday July 7, 2023 Time: 11.00h We wish him good luck and all the best!