Quantum mechanical charge field molecular dynamics simulation of the TiO:::2+::: ion in aqueous solution - researchr publication

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M. Qaiser Fatmi, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode. Quantum mechanical charge field molecular dynamics simulation of the TiO:::2+::: ion in aqueous solution. Journal of Computational Chemistry, 28(10):1704-1710, 2007. [doi]

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