A classical force field for tetrahedral oxyanions developed using hydration properties: The examples of pertechnetate (TcO4(-)) and sulfate (SO4(2-)).

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DOI:10.1063/1.4934964
作者：C. D. Williams, P. Carbone
文献类型：期刊论文
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American Institute of Physics (AIP)

Abstract：Radioactive pertechnetate, (99)TcO4(-), is one of the most problematic ionic species in the context of the clean up and storage of nuclear waste. Molecular simulations can be used to underst

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