张文静，女，汉族，1985年8月出生，河南省安阳县人，博士，副教授
联系方式：Email：zhangwj@zzu.edu.cn；Cell phone：18638653721
研究方向：有机反应机制与选择性
KS-DFT近似方法开发
主要学习和工作经历
2019.04 ~ 今，郑州大学，化学学院，副教授，硕士生导师
2016.01 ~ 2018.12，郑州大学，化学学院，校聘副教授，硕士生导师
2015.11 ~ 2019.03，郑州大学，化学与分子工程学院，讲师，硕士生导师
2012.08 ~ 2014.08，明尼苏达大学（University of Minnesota-Twin Cities），国家公派联合培养博士，合作导师：美国科学院院士、UMN杰出教授（Regents Professor）Donald G. Truhlar
2010.09 ~ 2014.12，郑州大学，博士，物理化学专业，导师：唐明生教授
代表性教学成果与荣誉
主讲本科生《结构化学》、《物理化学实验》、硕士研究生《理论与计算化学》、《线性代数与群论》等课程
荣获“2017年郑州大学第七届中青年教师讲课大赛”三等奖
以第一作者在《大学化学》（国内化学类最好的教学刊物）杂志发表教研论文一篇（“浅谈质心分数坐标在确定等径圆球密堆积空隙中的应用”）
代表性科研成果
w 主持的科研项目
1. 密度泛函计算3d/4d过渡金属原子轨道能与其同核双原子分子键能相关性的研究，国家自然科学基金青年基金，2016-2018
2. 3d过渡金属原子轨道能与其二聚体键能相关性的研究，博士后科学基金面上项目，2016-2019
3. 手性药物立体结构的计算与鉴定，横向项目，2017-2020
w 主要学术成果
迄今以第一或通讯作者在Chemical Communications，Advanced Synthesis & Catalysis，Catalysis Science & Technology，Journal of Chemical Theory and Computation，Physical Chemistry Chemical Physics，ChemCatChem，Organic Chemistry Frontiers，The Journal of Organic Chemistry，Journal of Agricultural and Food Chemistry等学术刊物上发表SCI论文25余篇，其中3篇文章的引用超过70次。
w 代表性论文
1. Zhang, X.; Tang, M.; Wang, Y.; Ran, Y.; Wei, D.; Zhu, Y.; Zhang, W.*, DFT Study on the Mechanism and Stereoselectivity of NHC-Catalyzed Synthesis of Substituted Trifluoromethyl Dihydropyranones with Contiguous Stereocenters. J. Org. Chem. 2016, 81 (3), 868-877.
2. Ran, Y.; Tang, M.; Wang, Y.; Wang, Y.; Zhang, X.; Zhu, Y.; Wei, D.; Zhang, W.*, Theoretical investigations towards the [4+2] cycloaddition of ketenes with 1-azadienes catalyzed by N-heterocyclic carbenes: mechanism and stereoselectivity. Tetrahedron 2016, 72 (35), 5295-5300.
3. Wang, Y.; Wei, D.; Zhang, W.*, Recent Advances on Computational Investigations of N-Heterocyclic Carbene Catalyzed Cycloaddition/Annulation Reactions: Mechanism and Origin of Selectivities. ChemCatChem 2018, 10 (2), 338-360.
4. Zhang, H.; Xu, H.; Bai, H.; Wei, D.; Zhu, Y.; Zhang, W.*, Theoretical study on the mechanism and enantioselectivity of NHC-catalyzed intramolecular SN2′ nucleophilic substitution: what are the roles of NHC and DBU? Org. Chem. Front. 2018, 5 (9), 1493-1501.
5. Bai, H.; Xu, H.; Zhang, H.; Guo, Y.; Shan, J.; Wei, D.; Zhu, Y.; Zhang, S.; Zhang, W.*, Theoretical investigations of the Ir-catalyzed direct borylation of B(3,6)–H of o-carborane: the actual catalyst, mechanism, and origin of regioselectivity. Catal. Sci. Technol. 2018, 8 (20), 5165-5177.
6. Zhang, H.; Bai, H.; Guo, Y.; Wei, D.; Chen, H.; Zhu, Y.; Zhang, W.*, A density functional theory study on mechanism and substituent effects of a base-free and catalyst-free synthesis of functionalized dihydrobenzoxazoles. Int. J. Quantum Chem. 2018, e25836.
7. Bai, H.; Zhang, H.; Guo, Y.; Chen, H.; Wei, D.; Li, S.; Zhu, Y.; Zhang, W.*, Understanding the Z selectivity of the metal-free intermolecular aminoarylation of alkynes: a DFT study. Org. Chem. Front. 2019, 6 (1), 125-133.
8. Bai, H.; Zhang, H.; Zhang, X.; Wang, L.; Li, S.; Wei, D.; Zhu, Y.; Zhang, W.*, Unravelling the Origins of Hydroboration Chemoselectivity Inversion Using an N,O-Chelated Ir(I) Complex: A Computational Study. J. Org. Chem. 2019, 84 (11), 6709-6718.
9. Bai, X.; Wang, L.; Zhang, Z.; Zhang, K.; Bu, Z.; Wu, Y.; Zhang, W.*; Wang, Q., Unexpected Cascade Reactions of Ortho-Hydroxyenaminones and beta,gamma-Unsaturated alpha-Ketoesters to Access Hydrogenated Benzoxazolepolycycles and Pyrrole-Phenol Atropisomers. Adv. Synth. Catal. 2019, 361 (21), 4893-4901.
10. Li, X.; Sun, L.; Zhang, Q.; Li, S.; Wang, Y.; Wei, D.; Zhang, W.*; Lan, Y., Mechanism and Substituent Effects of Benzene Arylation via a Phenyl Cation Strategy: A Density Functional Theory Study. Chemcatchem 2019, 11 (20), 5068-5076.
11. Zhang, K.; Han, H.; Wang, L.; Zhang, Z.; Wang, Q.; Zhang, W.*; Bu, Z., An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles. Chem. Commun. 2019, 55 (91), 13681-13684.
12. Zhang, W.; Lan, C.; Zhang, H.; Zhang, Y.; Zhang, W.*; Zhao, W.; Johnson, C.; Hu, K.; Xie, F.; Zhang, S., Facile Preparation of Dual-Shell Novel Covalent-Organic Framework Functionalized Magnetic Nanospheres Used for the Simultaneous Determination of Fourteen Trace Heterocyclic Aromatic Amines in Nonsmokers and Smokers of Cigarettes with Different Tar Yields Based on UPLC-MS/MS. J. Agric. Food. Chem. 2019, 67 (13), 3733-3743.
13. Zhao, J.; Liu, N.; Sun, S.; Gou, S.; Wang, X.; Wang, Z.; Li, X.; Zhang, W.*, Light-activated ruthenium (II)-bicalutamide prodrugs for prostate cancer. J. Inorg. Biochem. 2019, 196, 110684.
14. Li, X.; Liu, J.; Zhang, Q.-C.; Zhang, W.*; Lan, Y., Reagent Addition Sequence and Equivalent in N-Heterocyclic Carbene-Catalyzed Nonpolar Inversion Enable Conversion from Aldimine to Benzoxazole. Int. J. Quantum Chem. 2020, Accepted, DOI: 10.1002/qua.26249.
15. Xia, H.; Zhang, W.*; Yang, Y.; Purchase, D.; Wang, Y., Degradation Mechanism of Tris(2-Chloroethyl) Phosphate (TCEP) as an Emerging Contaminant in Advanced Oxidation Processes: a DFT Modelling Approach. Chemosphere 2021, 129674.
16. Xia, H.; Zhang, W.*; Yang, Z.; Dai, Z.; Yang, Y., Spectrophotometric Determination of p-Nitrophenol under ENP Interference. Journal of Analytical Methods in Chemistry 2021, 2021, 1-9.
17. Zhao, J.; Sun, S.; Li, X.; Zhang, W.*; Gou, S., Enhancing Photodynamic Therapy Efficacy of Upconversion-Based Nanoparticles Conjugated with a Long-Lived Triplet Excited State Iridium(III)-Naphthalimide Complex: Toward Highly Enhanced Hypoxia-Inducible Factor-1. ACS Applied Bio Materials 2020, 3 (1), 252-262.
18. Zhang, W.; Truhlar, D. G.; Tang, M., Explanation of the Source of Very Large Errors in Many Exchange–Correlation Functionals for Vanadium Dimer. Journal of Chemical Theory and Computation 2014, 10 (6), 2399-2409.
19. Zhang, W.; Truhlar, D. G.; Tang, M., Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds. Journal of Chemical Theory and Computation 2013, 9 (9), 3965-3977.
20. Zhang, W.-J.; Wei, D.-H.; Tang, M.-S., DFT Investigation on Mechanisms and Stereoselectivities of [2+2+2] Multimolecular Cycloaddition of Ketenes and Carbon Disulfide Catalyzed by N-Heterocyclic Carbenes. J. Org. Chem. 2013, 78 (23), 11849-11859.
21. Zhang, W.; Zhu, Y.; Wei, D.; Li, Y.; Tang, M., Theoretical Investigations toward the [4 + 2] Cycloaddition of Ketenes with N-Benzoyldiazenes Catalyzed by N-Heterocyclic Carbenes: Mechanism and Enantioselectivity. J. Org. Chem. 2012, 77 (23), 10729-10737.
22. Zhang, W.; Zhu, Y.; Wei, D.; Tang, M., Mechanisms of the cascade synthesis of substituted 4-amino-1,2,4-triazol-3-one from huisgen zwitterion and aldehyde hydrazone: A DFT study. J. Comput. Chem. 2012, 33 (7), 715-722.
23. Zhang, W.; Zhu, Y.; Wei, D.; Zhang, C.; Sun, D.; Tang, M., Direct esterification of p-nitrobenzoic acid with n-butanol using diethyl chlorophosphate in pyridine: A DFT study. Comput. Theor. Chem. 2011, 963 (1), 13-17.
24. Yu, S. H.; Zhang, W.; Verma, P.; He, X.; Truhlar, D. G., Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals. Physical Chemistry Chemical Physics 2015, 17 (18), 12146-12160.
25. Xu, X.; Zhang, W.; Tang, M.; Truhlar, D. G., Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3 d Transition Metals? Journal of chemical theory and computation 2015, 11 (5), 2036-2052.
