Check out our latest work on the #compchem modeling of #spincrossover Metal-organic cages, and how host-guest interplay tunes the T1/2. Congratulations to Laia Navarro and Arnau Garcia! Facultat de Química UB IQTCUB pubs.rsc.org/en/content/art…

Modeling TiO2 clusters supported on M2C MXenes in PCCP #Emerging_Investigators_2023 Congratulations #Masoomeh Néstor García-Romeral #FrancescViñes @FrancescIllas pubs.rsc.org/en/content/art… #Heterostructures4Future IQTCUB Facultat de Química UB

This week we made it to the cover of DaltonTransactions ! Check out Laia Navarro and Arnau Garcia work on [Fe2] #MOCs with #spincrossover behaviour tuned by the guest! IQTCUB Facultat de Química UB Universitat de Barcelona SOMM alliance

We have a PhD opening... details here Grupo E. "Mujeres en Física" RSEF GEFES RSEF ELLISBarcelona LatinXChem LatinX in AI (LXAI) careers.iciq.org/jobs/5017016-p…

The work from my master's thesis is published in Digital Discovery. If you are interested in transfer learning as a potential solution for the lack of training data in chemistry, check it out, it's open-access: doi.org/10.1039/D4DD00…

7 Reasons PhD Students Are Leaving Academia 🧵

🌟 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

🚨Pls RT: Come and join our team CIC energiGUNE!! We have two #postdoc #postdocposition positions to work in the areas of computational modelling for #hydrogen storage and #energy storage & conversion. More information here: cicenergigune.com/en/employment-… cicenergigune.com/en/employment-…

Our new contribution, this time on the field of organophosphorus chemistry, is now proof-corrected and on line!!👇 Protective effect of the perchlorophenyl group in organophos... sciencedirect.com/science/articl… ISQCH (CSIC-UNIZAR) Platineros GEQO RSEQ OASIS Network

Molt bona diada de Sant Albert! 👩‍🔬🧑‍🔬

🔬 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…

Come join us!! 😜

In our letters this month, a reader makes a compelling argument for the greater use of quantum chemistry in Iupac definitions. chemistryworld.com/opinion/letter…

Be sure to read research in our latest issue by Jesus Jover & co IQTCUB exploring nickel-catalyzed organochalcogen synthesis via cross-coupling of benzonitrile and alkyl chalcogenols with computational tools Find it in full here🔽 pubs.rsc.org/en/content/art…

Interested in a funded Master’s thesis in sustainable chemistry & catalysis in our 🇨🇭 member labs? 🌱🧪🌍 The NCCR Catalysis Young Talents Fellowship is back! 📑 More info bit.ly/2025YoungTalen… ⏰ Apply by 30 April 2025 🙋🏻 For any questions or help ➡️ @mflagadec 🔁 = 🫶🏻

A new opportunity to come and work with us Bristol Chemistry: jobs.ac.uk/job/DMU792/lec… - note it's a fixed-term post.

🚨PhD Opportunity in Computational Catalysis! Join our team at @CICenergiGUNE to advance atomistic modelling & AI for sustainable nitrogen conversion 🌱 See details below. #PhDposition #ComputationalChemistry #Catalysis #DFT #ML4Science Chemjobber TCD School of Chemistry TCD_EnergyScience

A recent paper with our collaborators of Universidad Alcalá has been selected as Hot Paper in DaltonTransactions! It will be will be free to access for the next 6 weeks, check it out: pubs.rsc.org/en/content/art… IQTCUB Facultat de Química UB

Our new paper has been accepted in J Org Chem/Org Lett 🥳 Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones Check it out in full open access: pubs.acs.org/doi/10.1021/ac… Frank Gómez IQTCUB Facultat de Química UB Computational Inorganic Chemistry group UB

OPEN POSITION AT IQTC Contact Prof. Pere Alemany before October 1st. iqtc.ub.edu/vacancies/phd-… #openposition #compchem Universitat de Barcelona SOMM alliance