Today a mini-review on bimolecular nucleophilic substitution (SN2) reactions was published in ChemPhysChem, by Trevor Hamlin, Marcel Swart and Matthias Bickelhaupt. It describes the dependence of the energy profile on the nucleophile, leaving group, central atom, substituents, and solvent: The reaction potential energy surface (PES), and thus the mechanism of bimolecular nucleophilic substitution (SN2), depends profoundly on
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On 22ndMay 2018, Albert Artigas, a PhD researcher of the Institute of Computational Chemistry and Catalysis (IQCC) working in the DiMoCat group won the second prize of the contest “your thesis in 4 minutes” held at the University of Girona. Albert delivered a brilliant informative lecture entitled “photovoltaic energy”. The PhD thesis of Albert, supervised
In 2015 and 2016, the IQCC organized for the first and the second time the Science Slam, which took place within the general context of the Setmana de la Ciència. This week on Friday May 11 the IQCC organizes the thirdedition to show the most representative research projects of the Institute to a wide audience. The research carried out
A group of chemists from the Universidad Complutense de Madrid lead by Prof. Nazario Martín together with the IQCC members Ouissam El Bakouri (ex-member of the IQCC, now in Uppsala), Miquel Solà, and Marc Garcia-Borràs (ex-member of the IQCC, now in UCLA) have studied the regioselectivity of the Diels-Alder reaction to C60in the singlet ground
Today, Antony A. Stasyuk has become a Juan de la Cierva formación researcher of the Institut de Química Computacional i Catàlisi (IQCC) working in the DiMoCat group. Dr. Stasyuk did his PhD in the Warsaw University of Technology on experimental and theoretical studies of excited state proton transfer (ESIPT) processes under the supervision of Prof. Dr. Daniel T.
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
Xavi Ribas has been awarded one of the four PREMIOS A LA EXCELENCIA INVESTIGADORA awards given by the Spanish Royal Society of Chemistry (Real Sociedad Española de Química- RSEQ). These are individual awards designed to recognize scientific excellence scientists that have shown scientific leadership in their area. Congratulations Xavi!
In the coming week (April 4-6) there will be the main event of the year: #GirSem18. This three-day conference is the latest in a series of biannual scientific meetings that have taken place since 1993. From 2016 onwards the conference series have one general topic (Predictive Catalysis) that is in line with the research aims of
Next Tuesday, April 3, will take place the Young Researchers Symposiumat the Centre Cultural La Mercèin connection with the Girona Seminar (April 4-6). This symposium will be organized for, and by, PhD students in order to showcase their results, and we encourage all participants of the Girona Seminar to also attend this symposium. The organizers
Site-selective C-H functionalization of aliphatic alkyl chains is a longstanding challenge in oxidation catalysis, given the comparable relative reactivity of the different methylenes. A supramolecular, bioinspired approach is described to address this challenge. A Mn complex able to catalyze C(sp3)-H hydroxylation with H2O2 is equipped with 18-benzocrown-6 ether receptors that bind ammonium substrates via hydrogen bonding.