Name of Research Group:Computational Actinoid and Boron Chemistry, CABC
Description of Research Group:The Computation Actinoid and Boron Chemistry group（CABC）concerns the chemistry of actinoids and the mechanism of alkane dehydrogenation catalyzed by boron-based catalysts. We apply quantum chemistry, molecular dynamics simulation at the levels of force field and first-principles, and hybrid QM/MM methods to address the coordination chemistry of actinoids and mechanistic issues in heterogeneous catalysis.
Team Members Introduction:主要研究兴趣为采用量子化学的方法探究多酸物质有趣且独特的化学性质。
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