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@ARTICLE{Garberoglio:24566,
      author       = {Garberoglio, G. and Vallauri, R. and Sutmann, G.},
      title        = {{I}nstantaneous normal mode analysis of correlated cluster
                      motions in hydrogen bonded liquids},
      journal      = {The journal of chemical physics},
      volume       = {117},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PreJuSER-24566},
      pages        = {3278 - 3288},
      year         = {2002},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We analyze the correlated motions of hydrogen bonded
                      clusters in liquid hydrogen fluoride, methanol, and water
                      using the Instantaneous Normal Mode approach. In the case of
                      hydrogen fluoride and methanol, which form a topologically
                      linear hydrogen bond network, the relevant cluster is a
                      triplet formed by a molecule and its two neighbors. In the
                      case of water, whose hydrogen bond structure has a local
                      tetrahedral symmetry, the basic unit considered is the
                      pentamer formed by a molecule and its four neighbors. For
                      each of these clusters we identify, using symmetry
                      arguments, the a priori modes describing the relative
                      motions of the cluster molecules and introduce suitable
                      projections in order to evaluate how much these modes
                      contribute to the actual motions at different frequencies.
                      In the case of hydrogen fluoride we confirm the assignment
                      of a 50 rad/ps peak observed in the single and collective
                      correlation function spectra to the stretching of the
                      hydrogen bonded network. In the case of methanol the
                      analysis of the correlated motions of the triplets shows
                      that in the intermediate frequency range (around 25 rad/ps)
                      a picture similar to what is observed in hydrogen fluoride
                      applies, whereas the high frequency properties of the liquid
                      (beyond 50 rad/ps) are mostly due to the asymmetric
                      stretching motion. In the case of water we demonstrate that
                      the a priori modes, based on the full tetrahedral symmetry
                      of the water pentamer, do indeed mix strongly under the
                      effect of the interaction with the neighbors. The results
                      are related to the spectroscopic measurement. (C) 2002
                      American Institute of Physics.},
      keywords     = {J (WoSType)},
      cin          = {ZAM},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB62},
      pnm          = {Methoden und Systeme der Informationstechnik},
      pid          = {G:(DE-Juel1)FUEK253},
      shelfmark    = {Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000177202300034},
      doi          = {10.1063/1.1493775},
      url          = {https://juser.fz-juelich.de/record/24566},
}