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Structural phase transitions and molecular dynamics in bornyl chloride

โœ Scribed by K. Holderna-Natkaniec; I. Natkaniec; J. Wasicki


Book ID
114142338
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
319 KB
Volume
374
Category
Article
ISSN
0166-1280

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Structural phase transitions in RbNO 3 and CsNO 3 are studied by molecular dynamics. The simulations are based on the parameter-free potentials calculated from the Gordon+Kim modi5ed electron gas formalism, extended to ionic molecular crystals. The microscopic mechanism of the structural phase trans