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A final bite of my thesis just got published in J. Med. Chem. pubs.acs.org/doi/10.1021/ac… (ACS Publications Bio & Med Chem Content). In this work, we explore how the fluorination pattern of SRf fragments significantly impacts the physicochemical properties of pyridines #MedChem #fluorine

Yesterday, the Quantum Chemistry Group gathered once again for our beloved annual calçotada! It was a fantastic day filled with great food, wonderful company, and joyful moments. Cheers to many more! 🎉🥂

We are excited to share our latest findings on clusterfullerenes, now published in InorgChemFront Royal Society of Chemistry! 📚 Check out all the details here: doi.org/10.1039/D4QI03… Quantum Chemistry Group URV

🎉 Excited to share our latest work in JCTC! We introduce DESC, a method that bridges MD & QM to capture realistic solvation, ion pairing & cosolute effects. Check it out! Quantum Chemistry Group URV Facultat Química URV ACS Publications pubs.acs.org/doi/10.1021/ac…

Our latest study is featured on the cover of Inorganic Chemistry ACS Publications! MD simulations reveal how Zr-substituted POMs aggregate via directional Zr···Zr H-bonds, offering insights into their self-assembly & catalytic behavior. Jordi Puiggalí-Jou doi.org/10.1021/acs.in…

Big congratulations to Jie Pan on successfully defending her PhD dissertation today! Kudos as well to her supervisors, Prof. Josep Manel Ricart and Prof. Cyril Godard. Many thanks to the committee members for joining us on this special occasion!

This week, our colleagues Prof. de Graaf, Prof. López, and their PhD student Ionuț Stan attended the XII Jujols Meeting in Strasbourg delivering presentations on their recent advancements in Non-Orthogonal Configuration Interaction (NOCI) methods.

Today, our bachelor students Carles Moreno and Albert Suriol concluded their research internship here at Quantum Chemistry Group URV and surprised us with breakfast to celebrate. We hope they had a great time working with us and look forward to seeing them again soon!

Last week, Prof. Rodríguez-Fortea delivered a scientific presentation at the 247th Meeting of The Electrochemical Society (ECS), held in Montréal, Canada. His talk focused on metal–metal bonding phenomena in endohedral lanthanide and actinide fullerenes. #ECS247

Our PhD student Ionuț-Octavian Stan is in Helsinki for #RLQC2025, presenting cutting-edge work on Non-Orthogonal CI applied to a 306-atom system! 🧠💻⚛️ A big step forward in scalable quantum chemistry 🇫🇮 Facultat Química URV Universitat Rovira i Virgili