作者: Udo Buck , Christof Steinbach
DOI: 10.1007/978-3-662-05231-0_4
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摘要: The condensed phase of water is probably the most investigated substance in Physical Chemistry. On one hand, there are numerous anomalous properties liquid like heat capacity and density as well many configurations ice that make with its tendency to form a network hydrogen bonds so interesting [1]. other plays key role ubiquitous solvent on earth promotor reactions atmospheric extraterrestrial chemistry. In spite all efforts progress made last 20 years, unified description phenomena starting from basic molecular interaction still missing. We do not have consistent nor we understand completely spectral surface different conformations ice. One reasons certainly lack good, flexible potentials correctly account for many-body effects which play crucial hydrogen-bonded [2]. simulations included by effective two-body interactions thus mostly valid range applications their parameters fitted. problem detailed experimental results would allow us derive explicit conclusions about underlying models. liquids, instance, information often restricted averaging processes only global picture results.