Month: February 2021

Siu-Chung Chan, new postdoc at IQCC

Dr. Siu-Chung Chan has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Chan did his PhD at City University of Hong Kong (China) on synthesis, spectroscopic and theoretical studies of ruthenium complexes containing nitrosoarene ?pyridine hybrid ligands under the supervision of Dr. Alex Chun-Yuen Wong in 2014. He

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Electrocatalytic Water Oxidation with alpha-[Fe(mcp)(OTf)2] and Analogues

The complex alpha-[Fe(mcp)(OTf)2] (mcp = N,N’-dimethyl-N,N’-bis(pyridin-2-ylmethyl)-cyclohexane-1,2-diamine and OTf = trifluoromethanesulfonate anion) was reported in 2011 by some of us as an active water oxidation (WO) catalyst in the presence of sacrificial oxidants. However, because chemical oxidants are likely to take part in the reaction mechanism, mechanistic electrochemical studies are critical in establishing to what extent

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Ram Mahato, new postdoc at IQCC

Dr. Ram Mahato has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Mahato did his PhD at National Yang-Ming University, Taiwan on predicting functional details of E5 Protein from Human Papillomavirus using computational modeling approaches under the supervision of Prof. Dr. Wolfgang B. Fischer in 2017. He has

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Ernest Ubasart wins poster prize at 1st Supramat network conference

This week the 1st Supramat network Conference took place online, which included a poster session. Ernest Ubasart, PhD student under the supervision of Dr. Xavi Ribas, presented a poster titled “A three-shell supramolecular complex enables the symmetry-mismatched chemo- and regioselective bis-functionalization of C60”, and won the 3rd prize (11-12th February). Congratulations Ernest!! Girona, Feb. 15, 2021 For

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Hückel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds

A recent paper (Kim et al. Nature Commun. 2019, 10, 4983) claims that there is a double charge transfer in the first singlet excited singlet state in TMTQ (an oligomer composed of a central 1,6-methano[10]annulenes, M10A, and 5-diacyanomethyl-thiophene exocyclic groups, see Figure 1) that is stabilized by the Baird aromaticity acquired by the central M10A

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Xavi Ribas repeats the ICREA Acadèmia award

ICREA is a foundation promoted by the Catalan Government whose aim is to stimulate excellent research in Catalonia. Xavi Ribas, a principal investigator of IQCC, and ERC-Starting Grant holder, won the ICREA Acadèmia awards 2020 for his research carrier. It is the third time that he receives this award (after 2010 and 2015) to recognize the research

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International Day of Women and Girls in Science at IQCC

This coming Thursday (11th of February) is the International day of Women and Girls in Science. The IQCC has currently a rather favourable balance in gender ratio of staff members, both at the Master level (53%), PhD level (33%), postdocs (18%) and permanent researchers staff (28%). Notably, out of the 4 most recent permanent members, 2 are

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PhD defense Miguel Ángel María-Solano

Next Friday (12th of February, 11.00h, virtual) will be the defense of the doctoral thesis of Miguel Ángel María Solano, titled “Computational studies of the conformational landscape of allosteric and enantioselective enzymes”, and supervised by Sílvia Osuna and Marcel Swart from IQCC. If you want to follow the online defense, please send an email to the UdG

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