Temperature dependence of structure and dynamics of the hydrated Ca:::2+::: ion according to ::::ab initio:::: quantum mechanical charge field and classical molecular dynamics - researchr publication

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Len Herald V. Lim, Andreas B. Pribil, Andreas E. Ellmerer, Bernhard R. Randolf, Bernd M. Rode. Temperature dependence of structure and dynamics of the hydrated Ca:::2+::: ion according to ::::ab initio:::: quantum mechanical charge field and classical molecular dynamics. Journal of Computational Chemistry, 31(6):1195-1200, 2010. [doi]

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