H2, HD, and D2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates

Lauvergnat, D., Felker, P., Scribano, Y., Benoit, D. M., and Bačić, Z. H₂, HD, and D₂ in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates. J. Chem. Phys. 150, 154303 (2019)