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Out this week in Science Magazine First Release, Yifeng Wang and Ken Houk collaborate on spin-center shifts to transform CF3 into CF2 and CF centers science.sciencemag.org/content/early/…

⚠️ Potential Rabbit Hole ahead ⚠️ Fact. #CompChem methods should be used conscientiously Fact. The highest isn’t necessarily the fittest/most appropriate Fact. I get lots of collab requests for filling papers with calcns. 1/4

We are proud to present our group’s latest publication on the Alkali Metal Adducts of an Fe(0) Complex and Their Synergistic FLP-Type Activation of Aliphatic C–X Bonds! Heartiest congratulations to Hendrik, Simon, Dániel, Zhi Hao, and Craig! Craig *not Creg* Fraser 🏴󠁧󠁢󠁳󠁣󠁴󠁿 pubs.acs.org/doi/10.1021/ja…

Excited to share that the all-new iPr3SnNTf2 is more Lewis acidic than its iPr3SnOTf cousin, and opens up some interesting FLP hydrogenations of esters for the first time. Many thanks to the Pápai group for their fascinating mechanistic insights! pubs.acs.org/doi/10.1021/ac…

Check out our invited perspective on computational molecular catalyst design. Congratulations to Ademola on his first paper! Great work! doi.org/10.1039/D1DT01…

Our study on Sn-based system has now appeared! 👇

A milestone has been reached! H2020-funded Compbat project has a database comprising ca. 6700 pyridoxal-derived molecules for redox flow battery development. More👇 ttk.hu/en/recent-news…

Z-Selective Fluoroalkenylation of (Hetero)Aromatic Systems by Iodonium Reagents in Palladium-Catalyzed Directed C-H Activation (Novak) onlinelibrary.wiley.com/doi/10.1002/ad…

Good job Andrea Hamza! 🤓

These machine learning cheatsheets contain some of the best and well-organized ML content I've come across. Sometimes, it's just good to understand the concept at a high level and it's context before going deep. This resource helps with that. stanford.edu/~shervine/teac…

Congratulations to Kenneth and Dipendu on their latest work out in ACIE on utilizing FLP mediated C-F bond activation to generate PET radiotracers with CF3 and CF2H groups: onlinelibrary.wiley.com/doi/abs/10.100…

Fluorine-18 Labeling of Difluoromethyl and Trifluoromethyl Groups via Monoselective C-F Bond Activation (Young) NUS Chemistry A*STAR onlinelibrary.wiley.com/doi/10.1002/an…

15 Useful Snippets to Code like a Pro in Python 🧵:

A comprehensive Handbook of C-H Functionalization is out! I am glad that we could contribute with our part: Steric Effects in ortho C-H Activation of Aromatic Systems. 🔗doi.org/10.1002/978352…

Very enjoyable and well made. I'm sure many will appreciate. Thank you to the authors! nmr-challenge.com NMR-Challenge.com: An Interactive Website with Exercises in Solving Structures from NMR Spectra pubs.acs.org/doi/10.1021/ac…

Check out our latest paper accepted in Angewandte Chemie: a powerful tool for the late-stage formal oxidation of prenylated molecules via metathesis. Congrats to Krisz and the team! onlinelibrary.wiley.com/doi/10.1002/an…

Our paper is now published in J. Am. Chem. Soc. ! Tashiro-san, a M2 student, came up the reaction design, conducted all experiments and calculations, and wrote most parts of the draft. I really respect him and am loooking forward to his brilliant future. pubs.acs.org/doi/10.1021/ja…

What you always wanted to know but didn’t dare to ask: What is the role of the barrier width in chemical reactivity? NEW #ASAP by PRS-Group Read it here: go.acs.org/73f