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- W2031015875 abstract "The molecular mean-square-amplitude matrix of crystalline biphenyl, C12H10, is calculated with an intermolecular potential of the atom-atom type. The effect of the presence of the low-lying torsional mode, which interacts with translational modes, is discussed. The Born S-matrix method is used, and proves to be an excellent approximation, which takes about ⅕ of the computer time of the exact calculation. The resulting amplitudes are in fair agreement with experiment, and show that the extremely high amplitude of libration about the long molecular axis may be satisfactorily explained without assuming a double-well shape for the torsional potential." @default.
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- W2031015875 date "1982-01-01" @default.
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- W2031015875 title "Lattice dynamical calculations of the mean square amplitudes of crystalline biphenyl" @default.
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- W2031015875 doi "https://doi.org/10.1107/s0567739482000060" @default.
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