通用的三元金属螯合剂TMACH-1,2-HOPO的络合、溶液热力学、光谱DFT研究, J Incl Phenom Macrocycl Chem, 2024, DOI: 10.1007/s10847-024-01221-9

有机金属锡单硫族化合物[SnX(X=O、S、Se和Te)]作为羰基化合物的替代配体：DFT研究, Computational and Theoretical Chemistry, Volume 1233, March 2024, 114514, DOI: 10.1016/j.comptc.2024.114514

The Effect of Resonance-Assisted Hydrogen Bond on the SecondOrder Nonlinear Optical properties of Pyridine Hydrazone Photoswitches: A Quantum Chemistry Investigation, New J. Chem., 2023, DOI: 10.1039/D3NJ02848H

Gradient Bundle Analysis of Electric Field Induced Changes in Electron Charge Density, J. Phys. Chem. A 2023, DOI: 10.1021/acs.jpca.3c01757

Stable Ketenyl Anions via Ligand Exchange at an Anionic Carbon as Powerful Synthons((Angew. Chem. Int. Ed. 20223)

密度泛函理论中苯基-3,3'-双（吲哚基）甲烷与β-环糊精相互作用的结构特征和稳定性(Polycyclic Aromatic Compounds 2022)

高放废液中三价镅在铕上与取代的三唑基吡啶配体选择性络合的DFT研究(Polyhedron 2022)

Homoleptic Perchlorophenyl “Ate” Complexes of Thorium(IV) and Uranium(IV)(Inorg. Chem. 2021)

卡普加龙内的菱铁矿(. Naturforsch. 2021)

苯并咪唑和环庚咪唑金氮杂环卡宾的结构与电子性质( E Schott - Polyhedron 2021)

X-ray diffraction and QTAIM calculations of the non-covalent intermolecular fluorine-fluorine interactions in tris(trifluoroacetylacetonato)-manganese(III), Journal of Molecular Structure, 2019