Rovibrational quantum dynamical computations for deuterated isotopologues of the methane-water dimer.

  title={Rovibrational quantum dynamical computations for deuterated isotopologues of the methane-water dimer.},
  author={J{\'a}nos Sarka and Attila G. Cs{\'a}sz{\'a}r and Edit M{\'a}tyus},
  journal={Physical chemistry chemical physics : PCCP},
  volume={19 23},
Rovibrational states of four dimers formed by the light and the heavy isotopologues of the methane and water molecules are computed using a potential energy surface taken from the literature. The general rovibrational energy-level pattern characteristic to all systems studied is analyzed employing two models of a dimer: the rigidly rotating complex and the coupled system of two rigidly rotating monomers. The rigid-rotor model highlights the presence of rovibrational sequences corresponding to… 

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