The phase diagram of ice: A quasi-harmonic study based on a flexible water model

Journal of Chemical Physics

Volumn 139, Issue 8, 2013, Pages

  Ramirez R ^a   Neuerburg, N ^a   Herrero, C P ^a  

^a INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATED PHASE DIAGRAMS; CLASSICAL LIMITS; FLEXIBLE WATER MODELS; INTERATOMIC POTENTIAL; PROTON DISORDER; QUANTUM EFFECTS; THERMODYNAMIC INTEGRATION; ZERO-POINT ENERGIES;

FREE ENERGY; PHASE DIAGRAMS; QUANTUM ELECTRONICS;

ICE;

EID: 84903362325     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4818875     Document Type: Article

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