Speciation and Binding of Uranyl Ion in Different Environments
نویسنده
چکیده
Understanding the speciation and binding of heavy metal ions in different environments is central to nuclear waste management processes. Due to the obvious safety and health hazard in experimental studies, theoretical calculations can be used as an alternative tool to study the chemistry of toxic heavy metal ions. Although several quantum chemical methods with variable accuracy are available, a cost effective method such as density functional theory (DFT) is an obvious choice. Here, we have high-lightened some of our studies on the speciation of uranyl ion in aqueous, biological, geo-chemical, carbon based nanomaterials and with synthetic receptor environments.
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