Application of the independent molecule model to the calculation of free energy and rigid-body motions of water heptamers and octamers

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 2, 2004, Pages 111-127

  Yoshioki, Shuzo ^a  

^a KUMAMOTO NATIONAL COLLEGE OF TECHNOLOGY   (Japan)

Author keywords

Free energy; Heptamer; Hydrogen bond; Octamer; Thermal ellipsoid; Vibrational entropy; Water cluster

Indexed keywords

CLUSTERS; HEPTAMERS; OCTAMERS;

ENTROPY; FREE ENERGY; GEOMETRY; HYDROGEN BONDS; MATHEMATICAL MODELS; STABILITY; THERMAL EFFECTS;

MOLECULES;

OXYGEN; WATER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ENERGY; ENTROPY; GAS; GEOMETRY; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MOLECULAR MODEL; MOLECULE; PRIORITY JOURNAL; TEMPERATURE; WATER FLOW;

GASES; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOTION; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 4444248776     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.03.014     Document Type: Article

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