
Computational Inorganic Chemistry group UB
@compinorgchemub
Inorganic Computational Chemistry Group at the Inorganic Chemistry section of the Universitat de Barcelona and IQTCUB
ID: 1757448890293334016
13-02-2024 16:58:23
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Our first publication as an independent group is out there! Have a look in "Advances in Inorganic Chemistry", access will be free of charge until August 7th. authors.elsevier.com/a/1jHXr_KS356Z… Frank Gómez Jesus Jover IQTCUB Facultat de Química UB

Yesteday, Žarko Ivković brilliantly defended his TFM thesis: Transfer learning based on atomic feature extraction for the prediction of experimental 13C chemical shifts. Fantastic work and amazing results! Many congratulations Zarko!!



🌟 Hey LatinXChem! Excited to present our work “Theoretical Mechanistic Evaluation of Palladium, Nickel, and Copper Catalysts in Suzuki–Miyaura Cross-Coupling” #LatinXChem24 🚀#LatinXChemComp 💻 #LatinXChemOrg ⚗️ #Org047 Facultat de Química UB Computational Inorganic Chemistry group UB IQTCUB Jesus Jover


🔬 New paper! We explore Ni-catalyzed organochalcogen synthesis via benzonitrile cross-coupling with computational tools. 💻🧪✨ Computational Inorganic Chemistry group UB Jesus Jover IQTCUB OBC #Chemistry #Catalysis #ComputationalChemistry 📖 Read here👇👇 pubs.rsc.org/en/content/art…