What can clusters tell us about the bulk?: Peacemaker: Extended quantum cluster equilibrium calculations

Computer Physics Communications

Volumn 182, Issue 7, 2011, Pages 1428-1446

  Kirchner, Barbara ^a   Spickermann, Christian ^a,b   Lehmann, Sebastian B C ^a   Perlt, Eva ^a   Langner, Johanna ^a   Von Domaros, Michael ^a   Reuther, Patricia ^a   Uhlig, Frank ^a,c   Kohagen, Miriam ^a   Brüssel, Marc ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

^b RUHR UNIVERSITY BOCHUM   (Germany)

^c INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

Associated liquids; Cluster gas; Condensed phase; Hydrogen bond; Peacemaker; Quantum cluster equilibrium; Statistical thermodynamic; Water

Indexed keywords

ASSOCIATED LIQUIDS; CLUSTER GAS; CONDENSED PHASE; PEACEMAKER; QUANTUM CLUSTER EQUILIBRIUM; STATISTICAL THERMODYNAMICS;

ASSOCIATED GAS; HYDROGEN BONDS; ITERATIVE METHODS; THERMODYNAMICS;

HYDROGEN;

EID: 79955562946     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.03.011     Document Type: Article

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