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• W164067685 abstract "The correlation between the structure and thermodynamic properties of minerals has long been considered fundamental. Besides the first-law functions, it is possible to calculate entropy and free energy for a pure ideal crystal if the vibrational properties are taken into account. These calculations imply the precise evaluation of spectroscopic data (Raman, IR, phonon dispersion curves) and allow good estimates of elastic properties and atomic displacement parameters." @default.
• W164067685 created "2016-06-24" @default.
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• W164067685 creator A5081562507 @default.
• W164067685 date "1992-01-01" @default.
• W164067685 modified "2023-09-28" @default.
• W164067685 title "Practical Problems in Calculating Thermodynamic Functions for Crystalline Substances from Empirical Force Fields" @default.
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• W164067685 doi "https://doi.org/10.1007/978-1-4612-2842-4_8" @default.
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