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• W2056528427 abstract "The crystal dynamics of the three phases, α, β and γ of malonitrile are calculated by using atom-atom potentials from the literature and considering the dipole and quadrupole moments. The experimental frequencies used for comparison are extended by new FIR measurements and low temperature single crystal Raman spectra. The overall agreement obtained is satisfactory. The splitting of some internal modes iu the triclinic β phase is mostly caused by the atom-atom potential. The form of the calculated soft mode agrees nicely with the values expected from crystallographic data. Finally, the influence of the multipole in the crystal energy is only of the order of 10%." @default.
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• W2056528427 date "1987-11-01" @default.
• W2056528427 modified "2023-09-24" @default.
• W2056528427 title "Crystal dynamics and phase transitions of malononitrile" @default.
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• W2056528427 doi "https://doi.org/10.1002/bbpc.19870911138" @default.
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