Methodological advances made in recent years 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. In this Perspective, Felker and Bacic review these advances in considerable depth.
Reference:
Noncovalently bound molecular complexes beyond diatom–diatom systems: full-dimensional, fully coupled quantum calculations of rovibrational states
Peter M. Felker and Zlatko Bačić
Physical Chemistry Chemical Physics, October, 2022
DOI: 10.1039/d2cp04005k
Leave a Reply