Configurational lattice dynamics and hybrid Monte Carlo approaches to thermodynamic properties of solid solutions

Journal of Molecular Structure: THEOCHEM

Volumn 506, Issue 1-3, 2000, Pages 45-53

  Allan, N L ^a   Barrera, G D ^b   Fracchia, R M ^c   Pongsai, B K ^a   Purton, J A ^d  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b UNIVERSIDAD NACIONAL DE LA PATAGONIA SAN JUAN BOSCO   (Argentina)

^c UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^d DARESBURY LABORATORY   (United Kingdom)

Author keywords

Enthalpy of mixing; Lattice dynamics; Monte Carlo; Oxides; Solid solutions

Indexed keywords

MAGNESIUM OXIDE; MANGANESE OXIDE;

CONFERENCE PAPER; ENTHALPY; MOLECULAR DYNAMICS; MOLECULAR STABILITY; SOLID; SYSTEM ANALYSIS;

EID: 0034647879     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00401-2     Document Type: Conference Paper

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