Car-Parrinello molecular dynamics simulation of the hydrated calcium ion

Journal of Chemical Physics

Volumn 117, Issue 21, 2002, Pages 9838-9843

  Bako I ^a   Hutter, J ^b   Palinkas G ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

^b UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDRATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POSITIVE IONS;

CAR-PARRINELLO MOLECULAR DYNAMICS;

CALCIUM;

EID: 0036902667     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1517039     Document Type: Article

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