News

Seminar by Dr. Javier Iglesias-Fernández on biocatalysis

Today the IQCC was visited by Dr. Javier Iglesias-Fernández (Dept. Chemistry, King’s College London, UK) who gave a seminar on Elucidating catalytic mechanisms in carbohydrate active enzymes by means of computational techniques Carbohydrates are ubiquitous molecules found in all kingdoms of life. They play a vast number of roles in biological processes, not behaving simply as a

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Miquel Duran awarded Medalla Narcís Monturiol

Professor Miquel Duran Portas has received the Medalla Narcís Monturiol for Scientific and Technological Merits which is awarded annually by the Generalitat de Catalunya, and has become the sixth distinguished researcher from Girona to receive this prestigious recognition. The Government has awarded the Medalla Narcís Monturiol to sixteen researchers and three research institutes. These awards,

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Xavi Ribas repeats the ICREA Acadèmia award

Today ICREA announced the list of winners of the ICREA Acadèmia awards 2015, among which are two names from the University of Girona: Ramon Brugada (Medicine) and Xavi Ribas (IQCC and Chemistry). Congratulations to both! For Xavi Ribas, member of IQCC and ERC-Starting Grant holder, it is the second consecutive time that he receives the

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Regioselectivity of Bingel–Hirsch Cycloadditions on IPR Metallofullerenes

In this work, the Bingel–Hirsch addition of diethylbromomalonate to all non-equivalent bonds of Sc3N@D3h-C78 was studied using density functional theory calculations. The regioselectivities observed computationally allowed the proposal of a set of rules, the predictive aromaticity criteria (PAC), to identify the most reactive bonds of a given endohedral metallofullerene based on a simple evaluation of

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Two European research projects (ERC-PoC)

Recently researchers of the IQCC and research group QBIS-Cat of the University of Girona have been successful with the ERC Proof of Concept program. This program is directly related to their ERC Starting Grant projects and tries to prepare the results obtained in these to bring them to market. In the case of the “Copper

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First Science Slam IQCC within Science Week

The Institute of Computational Chemistry and Catalysis of the University of Girona organizes the 1st Science Slam to show the most representative research projects of the Institute to a wide audience. A Science Slam is a form of science communication where scientists present their own scientific research work in a short time – 3 minutes each – in front of a non-expert

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Wiley book edited by members of the IQCC

This week a new book on “Spin states in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity” has been published. The book is a recollection of a number of contributions from frontline eminent researchers from all over the world, and is the first textbook that deals entirely with spin states. The book has been

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Sílvia Osuna awarded ERC Starting Grant

Dr. Sílvia Osuna has been awarded a ‘ERC Starting Grant’ (ERC-StG-2015-679001) grant for the project ‘Network Models for the Computational Design of Proficient Enzymes’. NetMoDEzyme project aims to develop a new computational protocol based on network models for the routine design of enzymes for any target reaction of pharmaceutical interest. The ability of routinely designing

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