* [[https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.26452|拓扑型稀土六硼化物f轨道相关带拓扑的第一性原理研究(International Journal of Quantum Chemistry 2020)]]
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=====晶体生长=====
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* [[https://pubs.acs.org/doi/abs/10.1021/acs.cgd.0c01536|Coordination and Precipitation of Calcium Oxalate: Computation to Kinetics(Cryst. Growth Des. 2021)]]