Jeremy M. Carr PCCP Célia Fonseca Guerra Lucas de Azevedo Santos Jordi Poater The TheoCheM Group VU Faculteit der Bètawetenschappen for more details on KS-DFT 📚 doi.org/10.1002/978047…

Jeremy M. Carr PCCP Célia Fonseca Guerra Lucas de Azevedo Santos Jordi Poater The TheoCheM Group VU Faculteit der Bètawetenschappen and how to use it 🛠️ doi.org/10.1038/s41596…

Jeremy M. Carr PCCP Célia Fonseca Guerra Lucas de Azevedo Santos Jordi Poater The TheoCheM Group VU Faculteit der Bètawetenschappen Thank you! 😃 In the The TheoCheM Group group we conduct quantum-chemical research based on DFT computations in the framework of Kohn-Sham molecular orbital theory, which enables us to study the nature and strength of chemical bonding in detail 👩‍💻 See also the article for more details!

Multiple hydrogen-bonded dimers: are only the frontier atoms relevant? 🧬🤔

Read it here! ➡️ doi.org/10.1039/D3CP05…

Our latest work in PCCP is highlighted on the cover! 😍✨
➡️ doi.org/10.1039/D4CP90…

Célia Fonseca Guerra Lucas de Azevedo Santos Jordi Poater The TheoCheM Group VU Faculteit der Bètawetenschappen

The TheoCheM Group had a great time at the KNCV Computational and Theoretical Chemistry congress. Excellent organisation by Ivo Filot.

Grateful to the KNCV-CTC community for the honor! Delighted to receive this prize. 💫

KNCV The TheoCheM Group VU Faculteit der Bètawetenschappen

Pascal Vermeeren wins KNCV-CTC Thesis Award🏆! Well done Pascal! 🎉 KNCV The TheoCheM Group VU Faculteit der Bètawetenschappen.

Now it's the turn of Daniela Rodrigues Silva from The TheoCheM Group about her research on the bonds in the 14th element group, as we covered on our website: sciencelink.net/news/steric-ef…
#CTC24

Great afternoon at KNCV Computational and theoretical chemistry congress. Now Daniela Rodrigues Silva from The TheoCheM Group talks about C–C and Si–Si bond. Full paper can be found here pubs.rsc.org/en/content/art…

Enjoying KNCV section Computational and theoretical chemistry congress at TU Eindhoven. Pascal Vermeeren from The TheoCheM Group talks about ethane, ethene and ethyne. Full paper can be found here. …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ch…

Pascal Vermeeren gives an update on the bond length paradigm we covered some time ago: sciencelink.net/features/parad…
#CTC24

Excellent congress organized by Ivo Filot

📣 In addition to the top presentations, we have organized two exciting events during CBOND2024! 🔥

1) A walking dinner + a poster session. 👩‍🏫👨‍🏫
2) A lovely boat cruise through the idyllic Amsterdam canals with dinner onboard. 🛥️ 🍲

📚Teaching the course Advanced Computational Chemistry with Matthias Bickelhaupt at the University of Johannesburg (@go2uj, UJ Faculty of Science) was an absolute blast! 💫

✨A week filled with bright minds and inspiration.✨

📋Big thanks to Adedapo Adeyinka for organizing this course! 🔥

HOT and free to access now: 2024 PCCP HOT Articles. Read them here: rsc.li/pccp-hot24

Op safari

Ever wondered why substitution reactions generally follow backside SN2? Read all about systems that dare to tread the unusual path of frontside SN2 in the #openaccess article by Wouter Remmerswaal Thomas Hansen VU Faculteit der Bètawetenschappen #compchem onlinelibrary.wiley.com/doi/10.1002/ch…

Read the latest PCCP HOT article of Xiangyu Wu, Matthias Bickelhaupt and Jing Xie, FREE to access now! Find it here: xlink.rsc.org/?doi=10.1039/D…

📣 We are delighted that SCM will generously sponsor the Young Researcher Symposium of CBOND2024! 🧪💻

For young researchers — organized by young researchers. 👩‍🔬👨‍🔬👩‍💻👨‍💻

Please RT to get the word out to Ph.D. students interested in chemical bonding!🔥

Thank you for having me here and collaborate with Miquel Solà ☀️