Molecular dynamics of phase transitions in clusters of alkali halides

International Journal of Quantum Chemistry

Volumn 84, Issue 2, 2001, Pages 169-180

  Rodrigues, Pedro C R ^a   Fernandes, Fernando M S Silva ^a  

^a UNIVERSITY OF LISBON   (Portugal)

Author keywords

Alkali halides; Computer simulation; Ionic clusters; Molecular dynamics; Phase transitions

Indexed keywords

COMPUTER SIMULATION; ENTHALPY; FREEZING; INTERFACES (MATERIALS); IONS; MELTING; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE TRANSITIONS;

ALKALI HALIDES; BORN-MAYER-HUGGINS POTENTIAL; MELTING POINT; VELOCITY AUTOCORRELATION FUNCTION;

HALOGEN COMPOUNDS;

EID: 0035812165     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1319     Document Type: Conference Paper

References (33)