In this minireview we survey the challenges and strategies in gold redox catalysis. Gold’s reluctance to oxidative addition reactions due to its high redox potential limits its applicability. Initial attempts to overcome this problem focused on the use of sacrificial external oxidants in stoichiometric amounts to bring Au(I) compounds to Au(III) reactive species. Recently, innovative
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Next Monday will be the defense of the doctoral thesis of Pau Besalú Sala, titled “Oriented external electric fields in chemistry: Development and application of new methods to simulate molecular response properties and reactivity”, supervised by Dr. Josep Maria Luis, Prof. Miquel Solà, Dr. Pedro Salvador from IQCC. Place: Aula Magna de la Facultat de Ciències Date: Monday May 20th,
Every year in May since 2013 is organizing the international Print of Science festival. This year is organizing by ICREA, IDIBGI, BTM, ERAM and the Scientific Culture and Digital Communication (C4D) unit of the UdG. Print of Science is an international event with the aim to bring science closer to the general public in a
Dr. Arijit Saha has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Saha did his PhD at the IGuru Ghasidas Vishwavidyalaya (India) on Studies on Catalytic Activity of Nanomaterials for the Synthesis of Biologically Important Scaffolds via One-pot Multicomponent Reactions under the supervision of Prof. Subhash Banerjee in 2018. He has postdocotral
The RSC Medical Chemistry journal features on its cover the recently published research article “Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection” by Dr. Jordi Mestres of the DIMOCAT group at the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona, also in collaboration with Dr. Harald Schwalbe (Goethe University),
In recent years there has been a surge in the development of methods for the synthesis of organofluorine compounds. However, enzymatic methods for C–F bond formation have been limited to nucleophilic fluoride substitution. In a new work led by Prof. Xiongyi Huang (Johns Hopkins University, USA) and in collaboration with the group of Dr. Marc
Next Tuesday will be the defense of the doctoral thesis of Sílvia Escayola Gordils, titled “Exploring the Boundaries of Aromaticity through Computational Analysis of Excited States and Complex Molecular Topologies”, supervised by Prof. Miquel Solà, Dr. Albert Poater from IQCC and Dr. Eduard Matito from DIPC. Place: Aula Magna de la Facultat de Ciències Date: Tuesday May 14th, 2024 Time:
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
Last 25th April took place the Spring edition of the IQCC Forum, a quarterly meeting-place where high-quality science will be discussed. The IQCC Forum gives the opportunity for PhD and postdoc members of the IQCC to present their work to a wide audience. This will lead to better knowledge of the work that is being performed
Dr. Mursaleem Ansari has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Ansari did his PhD at the Indian Institute of Technology Bombay on Mechanism of C-H and C=C activation by Mono and Dinuclear FeIV=O Species Using Density Functional Theory under the supervision of Prof. Gopalan Rajaraman in 2021. He has