🎓 @YIA_chemistry Thesis and Internship Fair on 28.11.2024!
📍TU Wien, BA auditorium (2nd floor)
🕒15:30-18:00
Network with young researchers and find exciting projects for internships and final theses. 🚀
Don't miss out!
#ThesisFair#Networking#tuwien#chemistry_tuw
Hey compchem friends. Any tool that can produce coordinates from SMILES with good cis/trans stereocontrol? Example: C1/C=C/CCCCC1
Both RdKit (ETKDGv3) and OBabel fail...
Transforming Aryl-Tetrazines into Bioorthogonal Scissors for Systematic Cleavage of trans-Cyclooctenes (Hannes Mikula and co-workers) @MikulaLab@tu_wien#openaccess https://t.co/pWkFyA1lbt
@AriWagen@ruben_laplaza@CorinWagen Oh wow, that's super nice. Really like your platform. I will have to test it more.
Currently we are mostly working with ORCA.
A question to the compchem people: why do we not have web based output file viewers yet? Cross compatible, no installation needed, perfect for teaching.
@ruben_laplaza@CorinWagen@AriWagen It seems like a very nice viewer/tool but afaik it only works for their data. Also uploading files could be a problem if structures are confidential. I'm playing around with full local processing and it seems to work quite well using Wasm.
@Dr_GHill@MolecularXtal One of the ways to get people to cite these is making it really easy to do so. ORCA 6 has the right idea with giving you DOI and even bibtex for the methods you actually used in the calculation.
Incredibly delighted and grateful that our paper in Monatshefte für Chemie - Chemical Monthly has been selected for the Best Paper Award 2024 by Springer! 🤩🧪🥳
Thanks @AT_ChemSociety@springer and @Click_Chemist@MikulaLab 💪🏼
Check out the paper:
https://t.co/YUxKGfmhuu
A 5-year position as data steward/research engineer of the chemistry departments of @psl_univ is available (more info about the position & the application process below). Deadline: December 1st. Retweets are appreciated! #chempostdoc
It's getting ridiculous. For the past years I got maybe one scam conference/journal request per day but I'm now at 5-10 while I already have hundreds of blocked senders.
Who are the people falling for these? Can we stop them somehow?
It's 2024 and that is what some airports consider adequate infrastructure. 6 plugs in the floor with no seating nearby for a gate with 180 passengers. @bhx_official that's worse than your security and that one is absolutely terrible.
@Fred_A_Perras @Nature The fact that they include an D-alanine and L-alanine coordinate file tells you everything you need to know.
Here's an overlay of their D-alanine (which for some reason has a fluorine atom included?) and their L-alanine (mirrored). Should be the same, it's clearly not.
@SchleifTim but might also be a "cartoon chemical supplies brooch pin cute science alloy breastpin lapel pin badge clothing bag backpack ha jacket charm gift girls"
@SchleifTim I think it's a "Chemistry Lab Enamel Anime Anime Pin Custom Brooches For Bag Clothes Lapel Pin Science Experiment Badge Element Molecular Structure Jewelry"