A diiodo ruthenium olefin metathesis pre-catalyst was employed to achieve remarkably selective cross-metathesis reactions of prenylated 1,6-dienes, effectively overcoming the entropically favored intramolecular ring-closing metathesis. This reaction was investigated using Density Functional Theory (DFT) computations and fine-tuned through the application of a Design of Experiments (DoE) approach. The potential of this innovative process was demonstrated
Institut de Química Computacional i Catàlisi
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Category: Portada
Every year in September since 2008, the IQCC is organizing together with the Scientific Culture and Digital Communication (C4D) unit of the UdG, the Diputació de Girona and the Girona City Council the European Researchers’ Night with the aim to bring science closer to the Girona general public. The European Researchers’ Night is a coordianted
The standardized citation metric analysis published by Ioaniddis (popularized as Stanford University global list of 2% top scientists) has become a world-recognized rank of scientific output performance based on scientific publications. The newest version 2024 includes 9 IQCC researchers (Miquel Solà, Miquel Costas, Marcel Swart, Albert Poater, Sílvia Osuna , Lluís Blancafort, Xavier Ribas, Jordi Mestres (visiting professor) and Alexander Voityuk (emeritus)). In addition, the career analysis report includes 10 IQCC
Since 2023 every two months, the IQCC is organizing some sessions of IQCC networking. This activity is trying to promote networking between the people of the all Institute (PIs, postdocs, PhD students, master students and staff) and it is a chemistry-free event, On Thursday September 19th took place a new session of IQCC networking, we did a soccer match and a
One of the priorities of the IQCC is to strengthen the connections with industry, both nationally and internationally. Continuation of ongoing collaborative research efforts and initiating new joint projects are a high priority for the institute. Actually, there are several collaborations with the private sector. Furthermore, this month, Prof. Miquel Solà has started a new one with the
Heteropolycyclic molecular systems, which are essential components in the fields of materials and pharmacology, frequently consist of 2D extended organic aromatic rings. Here, we introduce a type of inorganic-organic hybrid 3D conjugates by merging an aromatic boron cluster with a phosphine and a ?-conjugated unit. To achieve this, a couple-close synthetic strategy via B–H activation
Since 2015 the IQCC is organizing a Science Slam. On Tuesday October 1st the IQCC organizes the IX edition to show the most representative research projects of the Institute to a wide audience. The research carried out within each of the research teams of the IQCC will be briefly summarized by the PIs (2 minutes). Place: PB4,
This month (Sep 5-6, 2024) took place the IV Jornadas Españolas de Biocatálisis in Donostia-San Sebastián (Spain), which included a poster session. MSc. Mario Bonachea, PhD student under the supervision of Prof. Sílvia Osuna, presented a poster titled “Analyzing tryptophan synthase’s conformational changes” and won one poster prizes. Congratulations Mario! Girona, 16 September 2024 For more info: ges.iqcc@udg.edu
Dr. Mou Mandal has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Mandal did her PhD at the University of Hyderabad (India) on Cyclizations of Benzofused 1,6-Enyne/Diyne Systems Towards Synthesis of Diverse Polyaromatic Hydrocarbons and Heterocycles under the supervision of Prof. R Balamurugan in 2022. At this moment, she holds
This Friday will be the defense of the doctoral thesis of Guillem Casadevall i Franco, titled “Development of novel computational protocols for the design of efficient enzymes”, supervised by Prof. Sílvia Osuna from IQCC and Dr. Javier Iglesias Fernández. Place: Sala de Graus de la Facultat de Dret Date: Friday Sep 13th, 2024 Time: 11am We wish him good