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• W2048804037 abstract "The vibrational spectra of the para- and ferroelectric phases of thiourea are interpreted by a lattice-dynamical calculation using atom-atom interactions and the multipole expansion. In both phases the soft mode is calculated in the correct species with a satisfactory frequency. The harmonic dispersion curves for the paraelectric phase are also calculated. The crystal energy and its distribution into different kinds of interactions is discussed. Energy and force constants for the hydrogen bonds are obtained." @default.
• W2048804037 created "2016-06-24" @default.
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• W2048804037 date "1990-02-01" @default.
• W2048804037 modified "2023-09-24" @default.
• W2048804037 title "Lattice-dynamical calculations of crystalline thiourea" @default.
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• W2048804037 doi "https://doi.org/10.1016/0301-0104(90)80006-j" @default.
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