During last week (Jan 29th) there was the Hands-on Amsterdam Modeling Suite workshop at the Parc-UdG organized by SCM and Prof. Marcel Swart and Prof. Sílvia Osuna, ICREA researchers at the Institute of Computational Chemistry and Catalysis (IQCC), to learn hands-on how easy it is to use the powerful Amsterdam Modeling Suite for understanding and predicting
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Nature has chosen high-spin iron(IV)=O oxidants for nonheme iron enzymes with mononuclear active sites to cleave strong substrate C–H bonds. In our efforts to mimic such enzyme active sites and understand the properties of their biomimetic analogs, a new S = 1 FeIV=O complex has been synthesized with oxidative properties superior to those of the
EuChemS selected Prof. Sílvia Osuna, ICREA researcher at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, to 2025 Global Women’s Breakfast (GWB), an online event celebrating and promoting the role of women in science, technology, and innovation. EuChemS’ theme this year, “Reaching for the Quarks,” shines a spotlight on the remarkable potential of women in highly advanced
The J. Phys. Chem. C journal features on its front cover of the January 2025 issue the research article “Density Functional Theory Investigation of 2D Phase Separated Graphene / Hexagonal Boron Nitride Monolayers; Bandgap, Band Edge Positions and Photo-Activity” by Prof. Marcel Swart in collaboration with Dr. Eoin M. O’Sullivan and Prof. Nicole Grobert group. The corresponding paper was
Nonheme iron enzymes utilize S = 2 iron(IV)-oxo intermediates as oxidants in biological oxygenations. In contrast, corresponding synthetic nonheme FeIV=O complexes characterized to date favor the S = 1 ground state that generally show much poorer oxidative reactivity than their S = 2 counterparts. However, one intriguing exception found by Nam a decade ago is
Next Tuesday will be the defense of the doctoral thesis of Cristina Castanyer Caballé, titled “Exploring the use of Rh-catalyzed cyclization reactions for the functionalization of fullerenes.”, supervised by Dr. Anna Pla-Quintana, Prof. Miquel Solà and Prof. Anna Roglans from IQCC. The jury members will be Dr. Louis Fensterbank (Sorbonne Université), Prof. Xavi Ribas (IQCC-Universitat de Girona) and Dr. Montserrat Diéguez (Universitat Rovira i Virgili).
In the last weeks, two PIs of the Institut de Químicia Computacional i Catàlisi (IQCC) were promoted to part-time Full professor at the University of Girona: Prof. Sílvia Osuna and Prof. Marcel Swart. Sílvia Osuna Sílvia Osuna received her PhD in 2010 from the University of Girona (UdG) at the Institut de Química Computacional
Last 13th December took place the Xmas 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
Jordi Soler won the II edition of the best PhD in Chemistry award from the Real Sociedad Española de Química, Jóvenes Investigadores Químicos (RSEQ-JIQ) for the best PhD in Chemistry in 2023. He did his PhD in the TCBioSys group of the Institute of Computational Chemistry and Catalysis (IQCC) under the supervision of Prof. Sílvia Osuna and
Yesterday ICREA announced the list of winners of the ICREA Acadèmia awards 2024, among which are four (!!!) names from the University of Girona: Sebastià Puig (Engineering), Anna Maria Romani (Ecology), Miquel Costas and Miquel Solà (both IQCC and Chemistry). Congratulations to all four! Girona, December 13th, 2024 For more info: ges.iqcc@udg.edu