Computational Inorganic Chemistry group UB
@CompInorgChemUB
Followers
29
Following
10
Media
1
Statuses
7
Inorganic Computational Chemistry Group at the Inorganic Chemistry section of the Universitat de Barcelona and IQTCUB
Joined February 2024
Are you interested in combining computational inorganic chemistry and AI? ⚛️🖥️🧠 If so, apply as a #JdC postdoc in the @CompInorgChemUB group by December 10th. Check out the requisites here: https://t.co/EWfGyhVNuH or just get in touch!! @QuimicaUB @IQTCUB
0
2
2
Our new paper has been accepted in @JOC_OL 🥳 Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones Check it out in full open access: https://t.co/JYIFfDuKdT
@FGomezMudarra @IQTCUB @QuimicaUB @CompInorgChemUB
pubs.acs.org
Fluoroalcohols are a class of organic compounds containing one or more fluorine atoms together with an alcohol group in their molecular structure. These fluorinated species have a wide range of...
0
2
5
🔬 New paper! We explore Ni-catalyzed organochalcogen synthesis via benzonitrile cross-coupling with computational tools. 💻🧪✨ @CompInorgChemUB @yisuscience @IQTCUB @OrgBiomolChem
#Chemistry #Catalysis #ComputationalChemistry 📖 Read here👇👇 https://t.co/VF7D17rXxn
pubs.rsc.org
The preparation of organochalcogens has increased in recent times due to their promising biological activity properties. This work studies the reaction mechanism of a nickel(0)-catalyzed cross-coup...
0
3
13
🌟 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
@QuimicaUB @CompInorgChemUB @IQTCUB @yisuscience
5
11
78
📢Open Call: 2 PhD positions in Organic Chemistry - Universidad de Castilla-La Mancha (Albacete):
2
73
180
Yesteday, @ivkovic_zarko 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!!
0
1
6
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. https://t.co/uepXi0jXT4
@FGomezMudarra @yisuscience @IQTCUB @QuimicaUB
1
2
7