Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method

Journal of Chemical Physics

Volumn 122, Issue 10, 2005, Pages

  Vendrell, Oriol ^a,b   Meyer, Hans Dieter ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

PROTON CONDUCTION; QUANTUM CHEMISTRY; TIME-DEPENDENT HARTREE METHOD; WATER MOLCECULE;

COMPUTER SIMULATION; HYDROGEN; MOLECULAR DYNAMICS; OXYGEN; PROTONS; QUANTUM THEORY;

WATER;

EID: 17444367331     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1859274     Document Type: Article

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