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Neutral All-Metal sigma-Aromaticity in a Rhombic Cluster

Aromaticity is a cornerstone concept in chemistry, playing a crucial role in understanding molecular stability and reactivity. Traditionally, aromaticity has been primarily associated with cyclic planar conjugated organic molecules composed solely of carbon, but it has recently expanded to include metal-containing systems. However, metal-only aromatics remain extremely scarce. Here, we present the first neutral all-metal

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Ciència en Equip 2025 at IQCC

Every year in April since 2014 is organizing the Ciència en equip. It is a science fair mainly led by secondary school students from various institutes in the Girona region, aimed at the general public. This year, 5th of April 2025, the Ciència en Equip took place in Girona. The event started at 10 am until 2 pm at Pati de

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Structure and mechanism of haem-dependent nitrogen–nitrogen bond formation in piperazate synthase

Molecules with nitrogen–nitrogen (N–N) bonds include diverse specialized metabolites from nature, but little is known about the underlying enzymatic mechanisms that have evolved for N–N bond formation. To directly form a single N(sp3)–N(sp3) bond, enzymes must reverse the typical nucleophilicity of one nitrogen. Here we report the structure of PipS, a haem-dependent enzyme that catalyses

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PhD defense Gibu George

On 25th of April will be the defense of the doctoral thesis of Gibu George, titled “Computational study and design of materials for photovoltaic applications”, supervised by Prof. Miquel Solà and Dr. Anton Stasyuk from IQCC. The jury members will be Prof. Dr. Michal K. Cyranski (Univ. Warsaw), Prof. Dr. Araceli González  (Univ. Granada) and Dr. Ferran Feixas (Univ. Girona). Place: Aula

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PhD defense Michele Tomasini

On 24th of April will be the defense of the doctoral thesis of Michele Tomasini, titled “DFT calculation towards predictive organo/organometallic chemistry”, supervised by Dr. Lucia Caporaso , Dr. Laura Falivene and Dr. Albert Poater from IQCC. The jury members will be Dr. Rinaldo Poli (ENSIACET, CNRS-Toulouse), Dr. Xavier Sala (Universitat Autònoma de Barcelona) and Dr. Marta Planas (Universitat de Girona). Place:

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Cover ChemCatChem on Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations

The ChemCatChem journal  features on its front cover of the March 2025 issue the research article “Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations” by Sethuraman Muthuramalingam and Prof. Miquel Costas in collaboration with Dr. Prabha Vadivelu and Dr. Muniyandi Sankaralingam group. The Cover Feature depicts the hydroxylation of benzene to phenol in the

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PhD defense Alejandro Iglesias Reguant

Next Monday will be the defense of the doctoral thesis of Alejandro Iglesias Reguant, titled “Intermolecular interactions between fluorophores carrying BF/BF2 group and halogenated fluorobenzenes”, supervised by Dr. Borys Osmialowski and Dr. Josep Maria Luis from IQCC. The jury members will be Dr. Przemyslaw Dopieralski (University of Warsaw), Dr. Marcin Palusiak (University of Lodz), and Dr. Michal Cyranski (University of Warsaw). Place: Nicolaus

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MSCA Doctoral Network (COMENZE)

The project COMENZE: Computational and Experimental Enzyme Engineering for New Polymers, within the HORIZON-MSCA-2023-DN-101169327 call, aims to develop next-generation enzymes to enable recyclable materials and drive the transition to a circular economy. The consortium, coordinated by Dr. Lígia Martins (ITQB-NOVA Portugal), includes partners from different countries: Italy, Spain, Germany, Poland and The Netherlands. The MSCA grant is 2,563.653

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Sílvia Osuna recives BIOTRANS 2025 Junior Award

This week the BIOTRANS announced that Prof. Sílvia Osuna, ICREA researcher at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the BIOTRANS 2025 award, for her scientific career of quality and excellence achievements in biocatalysis. She will present her work at BIOTRANS 2025 in Basel. Trajectory: Osuna received her doctorate in 2010 from the University of Girona (UdG) at

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IQCC Day 2025

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. Last Thursday 20th March the 2nd IQCC Day took place. This activity is part of the Networking IQCC activities. We did a BBQ. Below you can find

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