Quantum contributions in the ice phases: The path to a new empirical model for water-TIP4PQ/2005

Journal of Chemical Physics

Volumn 131, Issue 2, 2009, Pages

  McBride, Carl ^a   Vega, Carlos ^a   Noya, Eva G ^a   Ramírez, Rafael ^b   Seś, Luis M ^c  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

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

^c UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EMPIRICAL MODEL; PATH-INTEGRAL SIMULATION; QUANTUM DELOCALIZATION EFFECTS; RELATIVE STABILITIES; RIGID ROTOR;

DIELECTRIC PROPERTIES;

ICE;

EID: 67650764007     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3175694     Document Type: Article

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