Markus Bursch (@burschmarkus) 's Twitter Profile
Markus Bursch

@burschmarkus

Computational and Inorganic Chemist

ID: 1319246170473058307

calendar_today22-10-2020 11:56:19

15 Tweet

60 Followers

13 Following

Markus Bursch (@burschmarkus) 's Twitter Profile Photo

You want to predict 29Si NMR chemical shifts using DFT but do not know which functional will do the job? Check out our recent benchmark study regarding this topic: #dft #nmr #29sinmr #29si pubs.acs.org/doi/abs/10.102…

J. Am. Chem. Soc. (@j_a_c_s) 's Twitter Profile Photo

[Cl@Si20H20]−: Parent Siladodecahedrane with Endohedral Chloride Ion pubs.acs.org/doi/10.1021/ja… Monodisperse silicon analogs of fullerenes and diamondoids are scarce. The study reports the synthesis of the parent siladodecahedrane, which represents the largest Platonic solid.

Goethe-Universität (@goetheuni) 's Twitter Profile Photo

Zwei neue Stoffklassen im Bereich der #Nanomaterialien haben #Chemiker der Goethe-Universität entwickelt und zusammen mit ihren Kooperationspartnern an der Rheinische Friedrich-Wilhelms-Universität Bonn untersucht aktuelles.uni-frankfurt.de/forschung/neue…

Markus Bursch (@burschmarkus) 's Twitter Profile Photo

Congratulations to my colleague Lukas Kunze for being awarded a poster prize at the 57th Symposium on Theoretical Chemistry for his poster on predicting singlet-triplet gaps of TADF emitters within chemical accuracy by mean-field calculations! #STChem2021

Jan Mewes (@dermewes) 's Twitter Profile Photo

Check out this recent preprint "Best-Practice DFT Protocols for Molecular #compchem" in which Markus Bursch, Andreas Hansen, Stefan Grimme, and I attempt to provide some general #DFT guidance for non-expert users based on decades of collective experience: doi.org/10.26434/chemr…

Markus Bursch (@burschmarkus) 's Twitter Profile Photo

We optimized the r²SCAN-3c DFT composite method for use with Slater-type orbital basis sets in the Amsterdam Modeling Suite. Hopefully, it will be available in the next release! Check out the results at pubs.acs.org/doi/full/10.10… #grimmelab #r2scan3c #compchem #ams

Jan Mewes (@dermewes) 's Twitter Profile Photo

Great news from Angewandte: It seems that our #bestpracticedft articles makes an impression in #compchem and beyond. I'm looking forward to reading all those nice articles citing ours :)