Paper Publications

• [71]Di Zu, Shuxian Hu, Shuqing Sun, Hui Wu,Zhongfei Xu, Ao Zhang, Haiyang Wang, Hehe Wei, Gang Ou, Kai Huang, Ruoyu Zhang, Lei Li.Room temperature Mg reduction of TiO2 : formation mechanism and application in photocatalysis.Chemical Communications,2019,55(53):7675-7678.
• [72]Chun Gao,Shu-Xian Hu, Huixian Han, Wenli Zou,Huixian Han, Guina Guo, Bingbing Suo.Exploring the electronic structure and stability of HgF6: Exact 2-Component (X2C) relativistic DFT and NEVPT2 studies.Computational and Theoretical Chemistry,2019,116014-18.
• [73]Bingyun Ao,Bingyun Ao,Ruizhi Qiu, Shu-Xian Hu.Plutonium Oxidation States in Complex Molecular Solids.The Journal of Physical Chemistry C,2019,123(19):12096-12103.
• [74]Bingyun Ao,Ruizhi Qiu, Shu-Xian Hu.First-Principles Insights into the Oxidation States and Electronic Structures of Ceria-Based Binary, Ternary, and Quaternary Oxides.The Journal of Physical Chemistry C,2019,123(1):175-184.
• [75]Bingyun Ao, Ruizhi Qiu, Shu-Xian Hu,Haiyan Lu, Zhenfei Yang.Unraveling the highest oxidation states of actinides in solid-state compounds with a particular focus on plutonium.Physical Chemistry Chemical Physics,2019,21(9):4732-4737.
• [76]Shu-Xian Hu,Mingyang Chen, Bingyun Ao.Theoretical studies on the oxidation states and electronic structures of actinide-borides: AnB12 (An = Th-Cm) clusters.Physical Chemistry Chemical Physics,2018,20(37):23856-23863.
• [77]Shu-Xian Hu,Hai-Tao Liu, Jing-Jing Liu, Ping Zhang, Bingyun Ao.Electronic Structure and Chemical Bonding of [AmO2(H2O)n]2+/1+.ACS Omega,2018,3(10):13902-13912.
• [78]Jiwen Jian, Jun Li, John K. Gibson,Shu-Xian Hu, Wan-Lu Li, Michael J. van Stipdonk, Jonathan Martens, Giel Berden, Jos Oomens.Uranyl/12-crown-4 Ether Complexes and Derivatives: Structural Characterization and Isomeric Differentiation.Inorganic Chemistry,2018,57(7):4125-4134.
• [79]Shu-Xian Hu, John K. Gibson, Jun Li,Jing-Jing Liu.Periodic Trends in Actinyl Thio-Crown Ether Complexes.Inorganic Chemistry,2018,57(5):2899-2907.
• [80]ShuXian Hu, Joaquim Marçalo, W. H. Eugen Schwarz, Jun Li,WanLu Li, JunBo Lu, Junwei Lucas Bao, Haoyu S. Yu, Donald G. Truhlar, John K. Gibson, Joaquim Maralo, Mingfei Zhou, Sebastian Riedel.On the Upper Limits of Oxidation States in Chemistry.Angewandte Chemie International Edition,2018,57(12):3242-3245.