Paper Publications

• [81]Shu-Xian Hu, John K. Gibson, Jun Li,Wan-Lu Li, Liang Dong.Crown ether complexes of actinyls: a computational assessment of AnO2 (15-crown-5) 2+ (An = U, Np, Pu, Am, Cm).Dalton Transactions,2017,46(36):12354-12363.
• [82]Le Zhang, Shu-Xian Hu, Li-Min Liu,Zhen-Kun Tang, Woon-Ming Lau, Wen-Jin Yin.Tuning band gaps and optical absorption of BiOCl through doping and strain: insight form DFT calculations.Physical Chemistry Chemical Physics,2017,19(31):20968-20973.
• [83]Shu-Xian Hu, Jun Li, Jun Li,Jiwen Jian, Jing Su, Xuan Wu, Jun Li, Mingfei Zhou.The Pentavalent Lanthanide Nitride-Oxides: NPrO and NPrO– Complexes with N≡Pr Triple Bonds.Chemical Science,2017,8(5):4035-4043.
• [84]Qingnan Zhang, Mingfei Zhou, Jun Li,ShuXian Hu, Hui Qu, Jing Su, Guanjun Wang, JunBo Lu, Mohua Chen.Pentavalent Lanthanide Compounds: Formation and Characterization of Praseodymium(V) Oxides.Angewandte Chemie International Edition,2016,55(24):6896-6900.
• [85]Shu-Xian Hu, Jun Li,John K. Gibson, Wan-Lu Li, Michael J. Van Stipdonk, Jonathan Martens, Giel Berden, Britta Redlich, Jos Oomens.Electronic structure and characterization of a uranyl di-15-crown-5 complex with an unprecedented sandwich structure.Chemical Communications,2016,52(86):12761-12764.
• [86]ShuXian Hu,JianGuo Yu, Eddy Y. Zeng,Eddy Y. Zeng.Atmospheric degradation mechanisms of a simulant organophosphorus pesticide isopropyl methyl methylphosphonate: A theoretical consideration.International Journal of Quantum Chemistry,2013,113(8):1128-1136.
• [87]Shu-Xian Hu, Eddy Yongping Zeng,Jian-Guo Yu.UV-spectroscopy, electronic structure and ozonolytic reactivity of sesquiterpenes: a theoretical study.Journal of Molecular Modeling,2012,18(4):1455-1462.
• [88]Shu-Xian Hu, Eddy Y. Zeng,Jian-Guo Yu, Shao-Meng Li.Theoretical considerations of secondary organic aerosol formation from H-abstraction of p-xylene.Computational and Theoretical Chemistry,2011,977(1-3):13-21.
• [89]Shu-Xian Hu,Jian-Guo Yu, Eddy Y. Zeng,Eddy Y. Zeng.A Density Functional Study of the Structural and Electronic Properties of Silicon Monoxide Clusters.The Journal of Physical Chemistry A,2010,114(40):10769-10774.
• [90]Zewen Shen, Yezi Hu, Haotian Zhang, Xiangke Wang, Guixia Zhao, Xiubing Huang,Tao Jiang, Gehong Liu, Jiayi Liu, Haotian Zhang, Huihui Jin, Bingfeng Li, Shuxian Hu.Photocatalytic upcycling of tetrahydrofurfuryl alcohol to high-value γ-hydroxybutyric acid in radioactive organic wastewater.Nanoscale,2026,18(21):11525-11532.