Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Sit, P H L ^a   Marzari, Nicola ^b  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FREEZING POINT; INTRAMOLECULAR STRETCHING; POWER SPECTRUM; VIBRATIONAL EXCITATIONS;

BINDING ENERGY; COMPUTER SIMULATION; CORRELATION METHODS; DIFFUSION; DYNAMIC LOADS; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; STATISTICAL METHODS;

HEAVY WATER;

EID: 20844450609     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1908913     Document Type: Article

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