1H216O YYZYK-HF spectroscopic model

TROVE input file containing spin-rotational parameters 

Links

1H2-16O__YYZYK-HP__model.inp

References

  1. Yachmenev, A, Yang,G., Zak,E, Yurchenko, S.N., Küpper, J., "The nuclear-spin-forbidden rovibrational transitions of water from first principles", Journal of Chemical Physics (2022).