Extended ab initio quantum mechanical/molecular mechanical molecular dynamics simulations of hydrated Cu2+

Journal of Chemical Physics

Volumn 119, Issue 18, 2003, Pages 9523-9531

  Schwenk, Christian F ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDRATION; IONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; OXYGEN; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ANGULAR DISTRIBUTION; HYDRATION STRUCTURE RADIAL DISTRIBUTION FUNCTIONS; PICOSECOND SCALE;

COPPER;

EID: 0344236191     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1614224     Document Type: Article

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