Semiclassical initial value representation treatment of a hydrogen bonded complex of rigid water molecules from a single trajectory in Cartesian coordinates

Journal of Chemical Physics

Volumn 127, Issue 14, 2007, Pages

  Issack, Bilkiss B ^a   Roy, Pierre Nicholas ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CONVERGENCE OF NUMERICAL METHODS; DIMERS; HYDROGEN BONDS; WATER;

CARTESIAN COORDINATES; CARTESIAN SEMICLASSICAL CALCULATIONS; INITIAL VALUE REPRESENTATION;

MOLECULAR DYNAMICS;

EID: 35248839642     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2786456     Document Type: Article

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