Ab initio QM/MM MD simulations of the hydrated Ca2+ ion

Pure and Applied Chemistry

Volumn 76, Issue 1, 2004, Pages 37-47

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

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM ION; WATER;

AB INITIO CALCULATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DYNAMICS; HYDRATION; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION;

EID: 1542273414     PISSN: 00334545     EISSN: None     Source Type: Journal    
DOI: 10.1351/pac200476010037     Document Type: Conference Paper

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