熊孝根



个人资料
熊孝根，现任中山大学中法核工程与技术学院副教授
电子邮件：?xiongxg@mail.sysu.edu.cn

教育经历
2008.09 – 2013.07??? 清华大学，化学，理学博士
2011.12 – 2012.11??? 赫尔辛基大学，理论与计算化学
2005.09 – 2008.07??? 中国矿业大学，物理化学，理学硕士
2001.09 – 2005.07?? 中国矿业大学，应用化学，理学学士


工作经历
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2018.04 – 2018.12???名古屋大学，ITbM研究员
2017.10 – 2018.03? 分子科学研究所（日本），分子科学研究所（IMS）研究员
2016.04 – 2017.03? 分子科学研究所（日本），日本学术振兴会（JSPS）研究员
2013.08 – 2017.09? 中国科学院上海应用物理研究所，助理研究员
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研究方向
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理论与计算化学，锕系化学

国家自然科学基金青年项目
含氮杂环钆(III)配合物电子结构与化学成键的理论研究（No. **），项目负责人


文章著作
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1. Quan Manh Phung*, Masaya Hagai, Xiao-Gen Xiong and Takeshi Yanai*. Polarization Consistent Basis Sets with Projector Augmented Wave Method: A Renovation Brought by PAW into Gaussian Basis Sets. Physical Chemistry Chemical Physics, 2020, 22, 27037-27052.
2. Aining Yao, Xiao-Gen Xiong, Mingliang Kang*, Yanan Guo, Chong Chen and Taiwei Chu*. Direct dissolution of UO₂ in carboxyl-functionalized ionic liquids in the presence or absence of Fe-containing ionic liquids. Dalton Transactions, 2020,49, 14881-14890.
3. Lei Cao, Shiqing Huang, Wei Liu, Hongyan Zhao, Xiao-Gen Xiong, Jian-Ping Zhang, Li-Min Fu, Xiaoyu Yan*. Thermally Activated Delayed Fluorescence from d10 Metal Carbene Complexes via Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium. Chemistry - A European Journal, 2020, 26(71), 17222-17229.
4. Xiao-Gen Xiong*, Akira Sugiura and Takeshi Yanai*. Projector Augmented Wave Method with Gauss-type Atomic Orbital Basis: Implementation of Generalized Gradient Approximation and Mesh Grid Quadrature. Journal of Chemical Theory and Computation, 2020, 16, 4883-4898.
5. Xiao-Gen Xiong* and Hong-Tao Liu*. Anion photoelectron spectroscopy and theoretical study of HAuCN and HAuCN^-: spin-orbit coupling and low-lying excited states. The Journal of Physical Chemistry A, 2020, 124, 4712-4719.
6.Yan-Li Li, Xiao-Gen Xiong and Hong-Tao Liu *. Theoretical analyses of chemical bonding in terminal EThF₂ (E = O, S, Se, Te). Nuclear Science and Techniques, 2019, 30: 70.
7.Yanli Li, Jinghan Zou, Xiao-Gen Xiong^?, Hua Xie, Zichao Tang,* Min Ge, Yafan Zhao and Hong-Tao Liu*. Anion photoelectron spectroscopy and chemical bonding of ThO₂^? and ThO₃^?. The Journal of Chemical Physics, 2018, 148, 244304.
8. Yanli Li, Jinghan Zou, Xiao-Gen Xiong^?, Jing Su, Hua Xie, Zejie Fei, Zichao Tang* and Hong-Tao Liu*. Probing Chemical Bonding and Electronic Structures in ThO^? Using Anion Photoelectron Imaging and Theoretical Calculations. Journal of Physical Chemistry A, 2017, 121(10), 2108 - 2113.
9. Takeshi Yanai*, Masaaki Saitow, Xiao-Gen Xiong, Jakub Chalupsky, Yuki Kurashige, Sheng Guo, and Sandeep Sharma. Multistate complete-active-space second-order perturbation theory based on density matrix renormalization group reference states. Journal of Chemical Theory and Computation, 2017, 13, 4829?4840.
10. Xiao-Gen Xiong* and Takeshi Yanai*. Projector Augmented Wave Method Incorporated into Gauss-type Atomic Orbital Based Density Functional Theory. Journal of Chemical Theory and Computation, 2017, 13, 3236?3249.
11. Cong-Qiao Xu, Xiao-Gen Xiong, Wan-Lu Li, and Jun Li*. Periodicity and Covalency of [MX2]^- (M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes. European Journal of Inorganic Chemistry, 2016, 1395 – 1404.
12. Xiaojing Guo*, Xiao-Gen Xiong, Cheng Li, Hengfeng Gong, Ping Huai, Jiangtao Hu, Chan Jin, Liangliang Huang and Guozhong Wu*. DFT investigations of uranium complexation with amidoxime-, carboxyl- and mixed amidoxime/carboxyl-based host architectures for sequestering uranium from seawater. Inorganica Chimica Acta, 2016, 441, 117 - 125.
13. Han Han*, Cheng Cheng, Xiao-Gen Xiong, Jing Su, Jian-Xing Dai, Hui Wang, Gen Yin and Ping Huai*. Piezoelectric, Mechanical and Acoustic Properties of KNaNbOF₅ from First-Principles Calculations. Materials, 2015, 8(12), 8578 - 8589.
14. Xiao-Gen Xiong, Yi-Lei Wang, Cong-Qiao Xu, Yi-Heng Qiu, Lai-Sheng Wang* and Jun Li*, etc. On the Gold-Ligand Covalency in Linear [AuX₂]^-Complexes. Dalton Transactions, 2015, 44, 5535-5546.
15. Xiao-Gen Xiong, Wenhua Xu, Jun Li* and Pekka Pyykk?*. Aspects of bonding in small gold clusters. International Journal of Mass Spectrometry, 2013, 354-355, 15-18.
16. Hong-Tao Liu, Xiao-Gen Xiong, Phuong Diem Dau, Yi-Lei Wang, Dao-Ling Huang, Jun Li* and Lai-Sheng Wang*. Probing the Nature of Au-C bonding in Alkynyl-Gold(I) Complexes. Nature Communications, 2013, doi:10.1038/ncomms3223.
17. Xiao-Gen Xiong and Pekka Pyykk?*. Unbridged Au(II)-Au(II) bonds are theoretically allowed. Chemical Communications, 2013, 49, 2103-2105.
18. Chuan-Gang Ning, Xiao-Gen Xiong, Yi-Lei Wang, Jun Li* and Lai-Sheng Wang*. Probing the electronic structure and chemical bonding of the ”staple” motifs of thiolate gold nanoparticles: Au(SCH₃)^-₂and Au₂(SCH₃)^-₃. Physical Chemistry Chemical Physics, 2012, 14, 9323-9329.
19. Hong-Tao Liu, Yi-Lei Wang, Xiao-Gen Xiong, Phuong Diem Dau, Zachary A. Pizza, Dao-Ling Huang, Cong-Qiao Xu, Jun Li* and Lai-Sheng Wang*. The electronic structure and chemical bonding in gold dihydride: AuH₂^? and AuH₂. Chemical Science, 2012, 3, 3286-3295.
20. Han-Shi Hu, Yi-Heng Qiu., Xiong Xiao-Gen, W. H. Eugen Schwarz* and Jun Li*. On the maximum bond multiplicity of carbon: unusual CU quadruple bonding in molecular CUO. Chemical Science, 2012, 3, 2786-2796.）
21. Rhitankar Pal, Wei Huang, Yi-Lei Wang, Han-Shi Hu, Satya Bulusu, Xiao-Gen Xiong, Jun Li*, Lai-Sheng Wang*, and Xiao Cheng Zeng*. Chemisorption-Induced 2D–3D–2D Structural Transitions in Gold Heptamer: (CO)_nAu₇^– (n = 1–4). The Journal of Physical Chemistry Letters, 2011, 2 (18), 2288-2293.
22. Hong-Tao Liu, Xiao-Gen Xiong, Phuong Diem Dau, Yi-Lei Wang, Jun Li* and Lai-Sheng Wang*. The mixed cyanide halide Au(I) complexes, [XAuCN]^-(X = F, Cl, Br, and I): evolution from ionic to covalent bonding. Chemical Science, 2011, 2, 2101-2108.
23. Pekka Pyykk?*, Xiao-Gen Xiong and Jun Li*. Aurophilic attractions between a closed-shell molecule and a gold cluster. Faraday Discussions, 2011, 152, 169-178.