个人简历

2016年于北京师范大学获理学博士学位。2016年7月至今，中央民族大学生命与环境科学学院工作

研究领域

理论计算化学及其在少数民族药用植物和其他化学和生物体系的光化学反应机理研究的应用

近期论文

1.Shu-Hua Xia, Ganglong Cui, Wei-Hai Fang, and Walter Thiel. How does Photoisomerization Drive Peptide Folding and Unfolding? Insights from QM/MM and MM Dynamics Simulations.Angew. Chem. Int. Ed.2016,128,2107-2112.
2.Shu-Hua Xia, Bin-Bin Xie, Qiu Fang, Ganglong Cui, and Walter Thiel. Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.Phys. Chem. Chem. Phys.2015,17, 9687-9697.
3.Shu-Hua Xia, Xiang-Yang Liu, Qiu Fang, and Ganglong Cui. Photodissociation Dynamics of CH3C(O)SH in Argon Matrix: A QM/MM Nonadiabatic Dynamics Simulation.J. Chem. Phys.2015,143, 194303-194313.
4.Shu-Hua Xia,Xiang-Yang Liu, Qiu Fang, and Ganglong Cui.Excited-State Ring-Opening Mechanism of Cyclic Ketones: A MSCASPT2//CASSCF Study.J. Phys. Chem. A2015,119, 3569-3576.
5. Li-Hong Liu, Dan Wu,Shu-Hua Xia*, and Ganglong Cui*. Theoretical Study on Photooxidation Mechanism of Ruthenium Complex [Ru(II)-(bpy)2(TMBiimH2)]2+with Molecular Oxygen.J. Comput. Chem.2016,37, 2212-2219.
6.Shu-Hua Xia, Wei-Hai Fang, Ganglong Cui and Chantal Daniel. A theoretical study of ruthenium complexes with 2,2’-biimidazole-like ligands: structural, optical and emissive properties.Photochem. Photobiol. Sci.2016,15, 1138-1147.
7. Wenwen Gong, Xinhui Liu,Shu-Hua Xia, Baocui Liang and Wei Zhang*. Abiotic Reduction of Trifluralin and Pendimethalin by Sulfides in Black-Carbon-Amended Coastal Sediments.J. Hazard. Mater.2016,310, 125–134.