Center member and NYU Professor of Chemistry Zlatko Bačić and his collaborator published a paper in Physical Chemistry Chemical Physics (PCCP), reviewing the recent methodological advances that have significantly extended the range and dimensionality of noncovalently bound, hydrogen-bonded and van der Waals, molecular complexes for which full-dimensional and fully coupled quantum calculations of their rovibrational states are feasible. The article has been selected by the journal as a 2022 HOT PCCP article. The themed collection, including this publication, could be accessed here.
Felker, P. M. and Bačić, Z. Noncovalently bound molecular complexes beyond diatom–diatom systems: Full-dimensional, fully coupled quantum calculations of rovibrational states. Phys. Chem. Chem. Phys. 24, 24655-24676 (2022)