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Najoua Choukairi wins best flash talk award at European-Winter School on Physical Organic Chemistry

This month (Feb 5-10th 2023) at the European-Winter School on Physical Organic Chemistry (E-WISPOC23) in Bressanone (Italy), Najoua Choukairi, PhD student under the supervion of Prof. Miquel Costas, presented her work on syn-dihydroxylation and won one of the best flash award awards. Congratulations Najoua!

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Janet Sánchez wins poster prize at First CompChem Conference of Societat Catalana de Química

Last month (Jan. 30-31, 2023) took place the 1st Reunió de Química Teòrica i Computacional (RQTC) 2023 Conference from Societat Catalana de Química (SCQ) in Barcelona, which included a poster session. Janet Sánchez, master student under the supervision of Prof. Sílvia Osuna, presented a poster titled “Computational design of new kinases for suicide cancer gene

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Valentina Iannace wins poster prize at First Inorg/OrgMet Conference of Societat Catalana de Química

This month (Feb 2-3th 2023) took place the 1st Reunió de Química Inorgànica i Organometàl·lica (RQIO) 2023 Conference from Societat Catalana de Química (SCQ) in Barcelona, which included a poster session. Valentina Iannace, PhD student under the supervision of Prof. Xavi Ribas, presented a poster titled “Regioselective bis-functionalization of fullerene C70 via supramolecular mask strategy”,

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Facile Construction of New Hybrid Conjugation via Boron Cage Extension

Aromatic polycyclic systems have been extensively utilized as structural subunits for the preparation of various functional molecules. Currently, aromatics-based polycyclic systems are predominantly generated from the extension of two-dimensional (2D) aromatic rings. In contrast, polycyclic compounds based on the extension of three-dimensional (3D) aromatics such as boron clusters are less studied. Here, we report three

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Reductive Coupling of Nitric Oxide by Cu(I): Stepwise Formation of Mono- and Dinitrosyl Species En Route to a Cupric Hyponitrite Intermediate

Transition-metal-mediated reductive coupling of nitric oxide (NO(g)) to nitrous oxide (N2O(g)) has significance across the fields of industrial chemistry, biochemistry, medicine, and environmental health. Herein, we elucidate a density functional theory (DFT)-supplemented mechanism of NO(g) reductive coupling at a copper-ion center, [(tmpa)CuI(MeCN)]+ (1) {tmpa = tris(2-pyridylmethyl)amine}. At -110 °C in EtOH (<-90 °C in MeOH), exposing 1 to NO(g) leads

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Collaboration with Concentrol, Roberlo, Novartis and Procter-Gamble international and nacional industries for six MACMoM students

During Feburary and March, six of the Master in Advanced Catalysis and Molecular Modelling (MACMoM) students will start a internship in Concentrol, Roberlo, Novartis and P&G company (Belgium) to perform their Master research project (TFM). Internship in a company is an optional module of the MACMoM Master, in which the students can perform a full-time

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International Day of Women and Girls in Science at IQCC 2023

This coming Saturday (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 (50%), PhD level (38%), postdocs (24%) and permanent researchers staff (29%). Notably, out of the 4 most recent permanent members,

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Sílvia Osuna granted an ERC Consolidator and an ERC Proof of Concept grant

A research project led by Sílvia Osuna, ICREA Professor at the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG), has been funded with 2 million euros within the Consolidator Grant call of European Research Council (ERC). Research projects funded by the ERC have as main objective to provide the best

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Happy Holidays

The University is closed (until Jan. 9), so all of the best for 2023 and until then: Happy holidays! Girona, December 24, 2022 For more info: gestor.iqcc@gmail.com

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IQCC Forum: Xmas edition 2022

Last Thursday took place the XMas edition of the IQCC Forum, a quarterly meeting-place where high-quality science is discussed. The IQCC Forum gives the opportunity for PhD and postdoc members of the IQCC to present their work to a select group of critical researchers, enhancing intra-IQCC collaborations and promoting knowledge exchange within the institute. This will

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