Liquid water from first principles: Investigation of different sampling approaches

Journal of Physical Chemistry B

Volumn 108, Issue 34, 2004, Pages 12990-12998

  Kuo, I Feng W ^a   Mundy, Christopher J ^a   McGrath, Matthew J ^a,b   Siepmann, J Ilja ^a,b   VandeVondele, Joost ^c   Sprik, Michiel ^c   Hutter, Jürg ^d   Chen, Bin ^e   Klein, Michael L ^f   Mohamed, Fawzi ^g   Krack, Matthias ^g   Parrinello, Michele ^g  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b University of Minnesota   (United States)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^d UNIVERSITY OF ZURICH   (Switzerland)

^e LOUISIANA STATE UNIVERSITY   (United States)

^f UNIVERSITY OF PENNSYLVANIA   (United States)

^g ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL ENSEMBLES; DIFFUSION CONSTANT; ELECTRON MASS; LIQUID WATER;

CARRIER CONCENTRATION; COMPUTER SIMULATION; DIFFUSION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; OXYGEN; SPECIFIC HEAT; TEMPERATURE CONTROL; VOLUME MEASUREMENT;

LIQUIDS;

EID: 4444372137     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047788i     Document Type: Article

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