Dalton Transactions inside front cover for vol 55, issue 8.
πOur 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 hereβ¬οΈ
pubs.rsc.org/en/content/a...
π§ͺ
π¨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
πdoi.org/10.1039/D5DD...
How to get accurate redox potentials? @michael11.bsky.social shows explicit solvent is key! #QBIC7
π QBIC Award 2024 ist awarded to Mariusz RadoΕ. Congratulations ππ
Day 3 of QBIC: πQBIC Award Winner 2023 Prof. Anastassia Alexandrova. Congratulations π π
Day 2 of QBIC at Erwin SchrΓΆdinger Center of @humboldtuni.bsky.social now speaking Ragnar BjΓΆrnesson.
Day 2 of QBIC VII in Berlin took off: great science, poster session tonight.
QBIC VII in Berlin sponsored by FACCTs
Great to see many of our collaborators and friends from the ORCA community including Michael RΓΆmelt, 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
Strong opening by Wonwoo Nam #qbic7 @humboldtuni.bsky.social
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
What happens in @chemistry-tuw.bsky.social and @universityofhawaii.bsky.social join forces?
You work on ice π§.
Check out our new publication on the UV-vis redshirt of carbonic acid in gas phase vs. bulk.
doi.org/10.1002/cphc...
πHow 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
@letigonzalez.bsky.social
#compchem #Berlin #QBIC
π 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...
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! πππ
@catalight.bsky.social
@fwf-at.bsky.social
@dfg.de
@univie.ac.at
Almost done with the symposium π
One before last, but not least, @podewitzlab.bsky.social on predictive operando computational catalysis
Itβs been a fantastic happy hour for our enhanced sampling symposium at #ACSSpring2025
Amazing experimental work by Tommy Magauer & his team,where we used DFT to elucidate the mechanism. π»β¨οΈπ±
Starting strong on a Sunday morning at @acs.org San Diego.
You can buy an extra plate with larger diameter to put the tiny Moka on. Bialetti makes and sell them. I got it
Christmas party @chemistry-tuw.bsky.social with my colleagues and our Dean.
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
Hi #ChemSky! π We see you! Please give us a moment to get settled here.
Great news! All the best for you!
Thank you for the initiative. Could you add me as well?
Thank you π
Could you add me?
Can you add me too?
Much room for improvement in Vienna! The first city I moved to where I am always wearing a helmet (probably alwqys a good idea) but I really did not feel safe.
