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Journal of Chemical Physics

Volumn 114, Issue 14, 2001, Pages 6364-6370

Simulation of material properties below the Debye temperature: A path-integral molecular dynamics case study of quartz

(1) Muser M H a

a JOHANNES GUTENBERG UNIVERSITY (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BOND STRENGTH (CHEMICAL); CALCULATIONS; COMPUTER SIMULATION; ELASTIC MODULI; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; QUANTUM THEORY; SILICA; TEMPERATURE; THERMODYNAMIC PROPERTIES;

ATOMIC VIBRATIONS; BOND ANGLES; BOND LENGTHS; DEBYE TEMPERATURE; MATERIAL PROPERTIES; PATH INTEGRAL MOLECULAR DYNAMIC;

QUARTZ;

EID: 0035826421 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1355772 Document Type: Article

Times cited : (17)

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