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.
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