Our work on (local) orbital decomposition of NCI and dispersion interaction densities (o-NCI and o-DID, respectively) has been published in @pccp.rsc.org! #chemsky pubs.rsc.org/en/content/a... Thank you everyone who contributed, most importantly Xaiza and Maxime!🥳

Our last work with the Göttingen team is online in @chemicalscience.rsc.org! We explored the use of NEO-DFT for the computational simulation of anharmonic OH vibrational shifts, achieving surprisingly nice results at rather low computational cost 🥳 @hasecke.bsky.social pubs.rsc.org/en/content/a...

New platform, new life! But from the old one (and to prepare for new avenues soon)... Chemical bonding characterization using APOST-3D: Official release of the code in JCP, and runs in parallel!🥳🥳 pubs.aip.org/aip/jcp/arti...