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In this paper,we present a general Mobius inversion transform formula for hcp lattices.This formula can be applied to hcp lattices with a non-ideal c/a value and to obtain the pair potential between atoms in these lattices from the cohesive energy.Also,the three-body interaction among atoms in the lattices can be taken into account in the method.This method gives a useful means to obtain interatomic interactions in the interatomic force model.The method has been applied to zinc,and the pair potential obtained is used to calculate the phonon dispersion relations for some high-symmetry directions.It is found that,by properly considering a three-body interaction,one can acquire satisfactory results. 相似文献
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Different proportions of β-cydodextrin and epichlorohydrin were used to prepare a group of β-cyclodextrin polymers. The relationship between the reaction extent and the molar ratios of reactants was discussed according to the results of ~1H-NMR, ~(13) C-NMR spectra and elemental analysis. Especially, high resolution ~1H-NMR spectra were usd for studying the reaction active sites and the extent of reaction. The solubility of oil soluble drugs in water was largely improved in the presence of water-soluble β-cyclodextrin polymer. 相似文献
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