TEMPERATURE-DEPENDENCE OF THE GENERAL SPECTRUM FOR WATER

One can use a superposition of five noninteracting Gaussian modes with suitably chosen parameters for each temperature to define the intermolecular region in a generalized frequency spectrum for protons in water molecules derived from inelastic slow-neutron scattering at 300, 400, 500, and 600 K: peak positions, variances, and weights. The temperature dependence of the parameters for the individual modes extracted from this approximation is discussed via information on the structural and dynamic features of water derived by other methods.