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Journal of Chemical Theory and Computation|November 18, 2021
Spin-Orbit Natural Transition Orbitals and Spin-Forbidden TransitionsRulin Feng, Xiaojuan Yu, Jochen AutschbachInorganic Chemistry|November 8, 2021
Covalency of Trivalent Actinide Ions with Different Donor Ligands: Do Density Functional and Multiconfigurational Wavefunction Calculations Corroborate the Observed "Breaks"?Xiaojuan Yu, Dumitru-Claudiu Sergentu, Rulin Feng, et al.Journal of Chemical Theory and Computation|January 1, 2021
Electron-Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component HamiltonianRulin Feng, Thomas J Duignan, Jochen AutschbachInorganic Chemistry|September 18, 2023
Magnetic Properties of Tetravalent Pu in the Perovskites BaPuO3 and SrPuO3S Skanthakumar, Xiaojuan Yu, Jochen Autschbach, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 3, 2020
Synthesis and Characterization of Two Uranyl-Aryl "Ate" ComplexesOsvaldo Ordoñez, Xiaojuan Yu, Guang Wu, et al.Inorganic Chemistry|September 14, 2022
Assessing the 4f Orbital Participation in the Ln-C Bonds of [Li(THF)4][Ln(C6Cl5)4] (Ln = La, Ce)Osvaldo Ordoñez, Xiaojuan Yu, Guang Wu, et al.Journal of the American Chemical Society|January 15, 2025
ThCTi@C(6)-C82: Th═C Double Bond in a Mixed Actinide-Transition Metal ClusterZhengkai Cao, Xiaojuan Yu, Yang-Rong Yao, et al.Inorganic Chemistry|July 30, 2021
Homoleptic Perchlorophenyl "Ate" Complexes of Thorium(IV) and Uranium(IV)Osvaldo Ordoñez, Xiaojuan Yu, Guang Wu, et al.Inorganic Chemistry|October 3, 2023
Quantifying Actinide-Carbon Bond Covalency in a Uranyl-Aryl Complex Utilizing Solution 13C NMR SpectroscopyOsvaldo Ordoñez, Xiaojuan Yu, Guang Wu, et al.Chemical Science|December 9, 2021
Synthesis and electronic structure analysis of the actinide allenylidenes, [{(NR2)3}An(CCCPh2)]- (An = U, Th; R = SiMe3)Greggory T Kent, Xiaojuan Yu, Guang Wu, et al.Pageof 49