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Properties of diatomic molecules from dynamical models for alkali halide crystals

โœ Scribed by M.J.L. Sangster


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
276 KB
Volume
15
Category
Article
ISSN
0038-1098

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We present a new approach to evaluating the intracrystalline thermodynamic properties of solid solutions by combining the molecular dynamics (MD) method and a chemical thermodynamic approach. The coordination type of ions in alkali halide solid solutions (A, B)X is classi5ed into 7 types X n (n โ€ซุโ€ฌ