Temperature dependence of structure and
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Len Herald V. Lim; Andreas B. Pribil; Andreas E. Ellmerer; Bernhard R. Randolf;
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Article
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2009
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John Wiley and Sons
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English
β 252 KB
π 2 views
## Abstract Simulations using __ab initio__ quantum mechanical charge field molecular dynamics (QMCF MD) and classical molecular dynamics using twoβbody and threeβbody potentials were performed to investigate the hydration of the Ca^2+^ ion at different temperatures. Results from the simulations de