Structure and elastic properties of Mg(OH)2 from density functional theory

Journal of Physics Condensed Matter

Volumn 22, Issue 44, 2010, Pages

  Jochym, Paweł T ^a   Oleś, Andrzej M ^a   Parlinski, Krzysztof ^a   Łazewski, Jan ^a   Piekarz, Przemysław ^a   Sternik, Małgorzata ^a  

^a INSTITUTE OF NUCLEAR PHYSICS   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ANGULAR CORRELATIONS; ANGULAR POSITIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELASTIC PROPERTIES; EXPERIMENTAL DATA; HYDROGEN ATOMS; HYDROGEN POSITIONS; LATTICE DIRECTIONS; LATTICE DYNAMICS; MAGNESIUM HYDROXIDE; PROBABILISTIC MODELS; ROTATIONAL DEGREE OF FREEDOM; STATIC DEFORMATIONS;

CRYSTAL LATTICES; DEGREES OF FREEDOM (MECHANICS); DENSITY (SPECIFIC GRAVITY); HYDROGEN; MAGNESIUM; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; SOLIDS;

DENSITY FUNCTIONAL THEORY;

EID: 78149419850     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/44/445403     Document Type: Article

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