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The structure of liquids studied by diffraction experiments is described in this review. The methods of obtaining molecular correlation functions are discussed for both spherical and non-spherical molecules and straightforward analysis of the diffraction data in polyatomic liquids for obtaining the molecular correlation function is very difficult. The result of liquid water is described in detail, which is only one example studied by the computer simulation and dif f racf ion experiments in polyatomic liquids. Since the electron density distribution of water molecule is very nearly spherical, correlation functions for molecular scattering center is derived from X-ray diffraction data. It will be possible that diffraction intensities in polyatomic liquids are calculated by the use of the technique of molecular dynamics with the advent of large electronic computers and more powerful experimental data than usual results are obtained by advanced experimental techniques, for example, by using solid state detectors for X-ray.
日本結晶学会の論文