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Join us and let’s do some great chemistry together! 💪⚛️

It's finally out in JACS Au! Discover how a cobalt catalyst utilizes a novel 1,2-alkyl migration from a metal to an N-heterocyclic carbene to facilitate catalysis. pubs.acs.org/doi/full/10.10…

And another one, this time with Alexandra Tsybizova !!🥳😍 Our latest collaboration with Marina A Petrukhina shows that two electrons are needed to transform COT into a “butterfly” dianion with a new single C−C bond, changing the 8MR into two fused 5MRs …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ce…

Two papers accepted today! 🥳 ✨Susmita's (Susmita Tripathy) ML models for XPS is in Machine Learning: Science and Technology ! arxiv.org/abs/2405.20033 ✨Atreyee's (Atreyee Majumdar) analysis of singlet-triplet gap of azaphenalenes is in PCCP! arxiv.org/abs/2407.04552 Big congrats to all those involved! 🎉

Susmita's (Susmita Tripathy) article "Chemical space-informed machine learning models for rapid predictions of x-ray photoelectron spectra of organic molecules" is now online 🌟 doi.org/10.1088/2632-2… Machine Learning: Science and Technology

Ever wondered how you can easily and quickly determine diradical character in polybenzenoid hydrocarbons? 🤔 Well, wonder no more! 😃 The fantastic Alex Wahab Alexandra Wahab tells us how to use xTB NFod values to do exactly that. 🤓 Fresh off the presses: chemrxiv.org/engage/chemrxi…

🥳Extremely proud to share the latest from our group! Gabby Warren and Kasia Młodzikowska-Pieńko elucidate the effects of benzoheterocyclic annelation on the s-indacene core. A fun collaborative effort with Michael Haley - UOregon Chemistry and Judy Wu 😍 Now in Chemical Science 😁 pubs.rsc.org/en/content/art…

Excited to share the new work with Atreyee Majumdar on leveraging the bias-variance tradeoff in double-hybrid DFT! arxiv.org/abs/2502.09330 We show how dh-DFT predictions can be self-corrected for accurate singlet–triplet gap estimations.

Check out our latest manuscript on cata-condensed B, N substituted polybenzenoids, COMPAS-4. We propose structural features that help us study this chemical space. It was an absolute pleasure to work with Renana Poranne and Itay Almog.

Everyone knows I love aromatic compounds... but what about *metallaaromatic* ones?! In a cool exp/comp collaboration with Graham de Ruiter, we find new cobalt macrocycles and show that they are metallaromatic thanks to metal-ligand coordination. go.shr.lc/4cQQPvN

Fantastic start of the week- an amazing MSc seminar by our Itay Almog! We are so proud of you! 👨‍🎓 Mazal Tov! 👏🎉

Selected slides from my presentation for the "Research and Publication Ethics" course for PhD students at TIFR Hyderabad. If there's one word I’d emphasize above all, it's "context". Raising awareness around it is crucial.

Hey everyone, check out our paper on COMPAS-4 in JCIM & JCTC Journals, the latest addition to the COMPAS database. It was an absolute pleasure to work with Renana Poranne and Itay Almog.

Check out our awesome cover for COMPAS-4 in JCIM & JCTC Journals 🤓. I am immensely grateful to Dr. Vitalii Stetsovych, Prof. Roi Poranne, and Renana Poranne for this cool artwork.🤩🤩

Are you ready for some more PBHs? Brand new from Alexandra Wahab: What's the story with pyrene? Our classification system reveals that it's the battle of aromaticity⚔️strain. Check it out now ChemRxiv: chemrxiv.org/engage/chemrxi…

COMPAS-4: A Data Set of (BN)1 Substituted Cata-Condensed Polybenzenoid Hydrocarbons─Data Analysis and Feature Engineering pubs.acs.org/doi/10.1021/ac… Sabyasachi Chakraborty Renana Poranne #JCIM Vol65 Issue11 #ChemicalInformation

Today we all representing PoranneGroup at 5th CMMS conference at Bar Ilan University. 🔬🧪 Proud to contribute to the science and the discussion! #conferencelife

We’re thrilled to share that Renana Gershoni-Poranne has been promoted to Associate Professor with tenure! 🌟 A brilliant scientist, dedicated mentor, and inspiring colleague — we couldn’t be prouder. Congratulations, Renana Poranne ! 👏 #Proud #FacultySuccess #Chemistry #Technion