iiinova — where your digital self keeps evolving

Reposted by Maren Podewitz

Dalton Transactions @daltontrans.rsc.org · 27/02/2026

🔓Our inside front cover: #OpenAccess work by @iottgroup.bsky.social, @podewitzlab.bsky.social, @hohlochlab.bsky.social, Benno Bildstein & co on synthesising cobalt-based metallo-mesoionic carbene Au(I) complexes with antiproliferative effects, read here⬇️ pubs.rsc.org/en/content/a... 🧪

Dalton Transactions inside front cover for vol 55, issue 8.

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Digital Discovery @digital-discovery.rsc.org · 20/10/2025

🚨A new QM/MM MD workflow + ML analysis reveals reaction coordinates in supramolecular catalysts as sequences of motions. Read the full paper by @podewitzlab.bsky.social et al., from TU Wien 👉doi.org/10.1039/D5DD...

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Maren Podewitz @podewitzlab.bsky.social · 28/08/2025

How to get accurate redox potentials? @michael11.bsky.social shows explicit solvent is key! #QBIC7

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Maren Podewitz @podewitzlab.bsky.social · 28/08/2025

🏆 QBIC Award 2024 ist awarded to Mariusz Radoń. Congratulations 🎉🎊

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Maren Podewitz @podewitzlab.bsky.social · 28/08/2025

Day 3 of QBIC: 🏆QBIC Award Winner 2023 Prof. Anastassia Alexandrova. Congratulations 🎊 🎉

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Maren Podewitz @podewitzlab.bsky.social · 27/08/2025

Day 2 of QBIC at Erwin Schrödinger Center of @humboldtuni.bsky.social now speaking Ragnar Björnesson.

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Reposted by Maren Podewitz

Matthias Stein @matthiasstein.bsky.social · 27/08/2025

Day 2 of QBIC VII in Berlin took off: great science, poster session tonight.

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FACCTs @faccts.de · 27/08/2025

Great to see many of our collaborators and friends from the ORCA community including Michael Römelt, Dimitrios Pantazis, @podewitzlab.bsky.social, @letigonzalez.bsky.social, @kulikgroup.bsky.social, and many more at the QBIC VII in Berlin, Germany! #QBICVII #CompChemSky #ChemSky #ORCAqc #ORCA

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Maren Podewitz @podewitzlab.bsky.social · 26/08/2025

QBIC 7 starting today. Looking forward to 4 days of science bridging theory and experiment. @humboldtuni.bsky.social #compchem @matthiasstein.bsky.social @verakrewald.bsky.social

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Maren Podewitz @podewitzlab.bsky.social · 07/08/2025

What happens in @chemistry-tuw.bsky.social and @universityofhawaii.bsky.social join forces? You work on ice 🧊. Check out our new publication on the UV-vis redshirt of carbonic acid in gas phase vs. bulk. doi.org/10.1002/cphc...

doi.org

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Maren Podewitz @podewitzlab.bsky.social · 30/07/2025

🔊How reliable, reproducible and reusable are your computational chemistry data? Check out our recent perspective on that topic. #compchem #chemicaldata #dataforml @chemistry-tuw.bsky.social @tuwien.at

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Maren Podewitz @podewitzlab.bsky.social · 16/06/2025

🔊 Call for contributed talks - QBIC VII Join us in Berlin Aug 26 - 29, 2025 for the Quantum Bio-Inorganic Chemistry bringing together experts from theory and experiment. Submit your abstract by JULY 1st, 2025. pages.cms.hu-berlin.de/roemeltm/qbi...

pages.cms.hu-berlin.de

QBIC VII

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Leticia González @letigonzalez.bsky.social · 12/06/2025

An excellent PhD defense by David Hernandez today! With a great panel of reviewers: Daniel Escudero from @leuvenup.bsky.social and @podewitzlab.bsky.social from @tuwien.at Congratulations! 👏👏👏 @catalight.bsky.social @fwf-at.bsky.social @dfg.de @univie.ac.at

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Reposted by Maren Podewitz

Barak Hirshberg @barakhirshberg.bsky.social · 26/03/2025

Almost done with the symposium 😭 One before last, but not least, @podewitzlab.bsky.social on predictive operando computational catalysis

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Reposted by Maren Podewitz

GiovanniMaria Piccini @giovannimpiccini.bsky.social · 26/03/2025

It’s been a fantastic happy hour for our enhanced sampling symposium at #ACSSpring2025

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Maren Podewitz @podewitzlab.bsky.social · 23/03/2025

Amazing experimental work by Tommy Magauer & his team,where we used DFT to elucidate the mechanism. 💻⌨️🖱

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Maren Podewitz @podewitzlab.bsky.social · 23/03/2025

Starting strong on a Sunday morning at @acs.org San Diego.

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Maren Podewitz @podewitzlab.bsky.social · 28/11/2024

BSc and MSc career fair @chemistry-tuw.bsky.social an opportunity to meet new students but also connect with faculty @k-ehrmann.bsky.social @florian.gloecklhofer.eu and others

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American Chemical Society @acs.org · 20/11/2024

Hi #ChemSky! 👋 We see you! Please give us a moment to get settled here.

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Reposted by Maren Podewitz

Boris Maryasin @bmaryasin.bsky.social · 10/10/2023

We've all heard of paracetamol, but have you ever wondered about its synthesis mechanism using organoselenium chemistry? Or considered the use of sulfur as an alternative? Explore our new study for answers! chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1...

chemistry-europe.onlinelibrary.wiley.com

https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202302386

Wiley Online Library requires cookies for authentication and use of other site features; therefore, cookies must be enabled to browse the site. Detailed information on how Wiley uses cookies can be fo...

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Reposted by Maren Podewitz

Marcel Swart @marcelswart.bsky.social · 06/09/2023

Conference dinner of EuChemS InorgChem meeting

Heuringer vineyard Vienna, conference dinner EuChemS InorgChem

Inside of tram that took us from Vienna city center to Heuringer vineyard Vienna

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