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- W2155268171 abstract "The individual and two-molecule rotational dynamics of ClO4 ions are studied via a molecular dynamics simulation of a potassium perchlorate crystal in the orientationally disordered phase. In order to overcome the difficulty of dealing with orientational variables, symmetry adapted rotator functions are used. The rotational matrix makes it possible to compute instantaneous rotational velocities and axes. Finally, an effective rotational angle is introduced also. The results obtained with these tools are consistent. The rotational motion is diffusive, but the relative orientations of two neighbouring molecules last longer than that of a single molecule, showing coupled motion. Molecules which are far from the most probable orientations have greater rotational velocity. A tentative interpretation is proposed." @default.
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- W2155268171 date "1998-04-10" @default.
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- W2155268171 title "Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation" @default.
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- W2155268171 doi "https://doi.org/10.1080/00268979809482256" @default.
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