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@ARTICLE{Prager:57070,
      author       = {Prager, M. and Press, W.},
      title        = {{M}ethane clathrate: {CH}4 quantum rotor state dependent
                      rattling potential},
      journal      = {The journal of chemical physics},
      volume       = {125},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PreJuSER-57070},
      pages        = {214703},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {In methane hydrate the dominant peak in the density of
                      states above 3 meV represents a rattling mode of the guest
                      molecule CH(4) in the large ice cages. This mode shifts from
                      6.7 meV at T=4.5 K to T=30 K to 7.14 meV with conversion of
                      CH(4) guest molecules into the tunneling ground state. The
                      less symmetric angular density distribution PsiPsi(*) in the
                      excited rotational state compared to the ground state allows
                      the methane to fit better in the orientation dependent cage
                      potential surface. This leads to a larger average distance
                      to the cage-forming molecules with a weaker potential and a
                      reduced rattling energy. A two state single particle model
                      with characteristic rattling energies of 5.20 meV for pure
                      T-methane and 7.3 meV for pure A-methane weighted by the
                      population factors can fit the data.},
      keywords     = {J (WoSType)},
      cin          = {IFF-INS},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB341},
      pnm          = {Kondensierte Materie / Großgeräte für die Forschung mit
                      Photonen, Neutronen und Ionen (PNI)},
      pid          = {G:(DE-Juel1)FUEK414 / G:(DE-Juel1)FUEK415},
      shelfmark    = {Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:17166036},
      UT           = {WOS:000242646200029},
      doi          = {10.1063/1.2400031},
      url          = {https://juser.fz-juelich.de/record/57070},
}