Month: January 2025

2025 Global Women’s Breakfast (GWB)

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

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Cover J Phys Chem C on Density Functional Theory Investigation of 2D Phase Separated Graphene / Hexagonal Boron Nitride Monolayers; Bandgap, Band Edge Positions and Photo-Activity

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

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10-Fold Increase in Hydrogen Atom Transfer Reactivity for a Series of S = 1 FeIV=O Complexes Over the S = 2 [(TQA)FeIV=O]2+ Complex via Entropic Lowering of Reaction Barriers by Secondary Sphere Cycloalkyl Substitution

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

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PhD defense Cristina Castanyer Caballé

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).

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