【张文静】郑州大学化学与分子工程学院研究生导师介绍

信息发布

　　张文静，女，1985年8月生，博士，讲师

　　邮箱：zhangwj@zzu.edu.cn

　　研究方向

　　1. 催化反应机理的理论研究

　　2. 3d, 4d过渡金属及其化合物的密度泛函计算

　　3. 密度泛函近似方法的开发

　　教育与研究经历

　　2015.11—至今  郑州大学化学与分子工程学院   讲师

　　2008.09—2014.12   郑州大学化学分子与工程学院   硕博连读

　　2012.08—2014.08   美国明尼苏达大学Truhlar课题组国家公派联合培养博士

　　2004.09—2008.07   郑州大学化学系 本科

　　教学情况

　　本科生《结构化学》、本科生《物理化学实验》、研究生《理论与计算化学》。

　　承担项目与课题

　　1. 主持国家自然科学基金-青年科学基金项目：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。

　　2. 主持第57批中国博士后科学基金面上资助项目：3d过渡金属原子轨道能与其二聚体键能相关性的研究。

　　代表性成果

　　[1]Zhang Xiaoli; Tang Mingsheng; Wang Yang; Ran Yingying; Wei Donghui; Zhu Yanyan; Zhang Wenjing*. DFT Study on the Mechanism and Stereoselectivity of NHC-Catalyzed Synthesis of Substituted Trifluoromethyl Dihydropyranones with Contiguous Stereocenters, The Journal of Organic Chemistry 2016, 81, 868-877.

　　[2]Song Chen; Zhang Xuening; Li Fangfang; Zhu Yanyan; Liu Chunmei; Li Xue; Li Yue; Zhang Wenjing*; Wei Donghui; Tang Mingsheng. Theoretical study of binding affinity for diamidine with DNA, Structural Chemistry 2015, 1-16.

　　[3]Wang Yanyan; Wei Donghui; Wang Yang; Zhang Wenjing; Tang Mingsheng. N-Heterocyclic Carbene (NHC)-Catalyzed sp3 β-C–H Activation of Saturated Carbonyl Compounds: Mechanism, Role of NHC, and Origin of Stereoselectivity, ACS Catalysis 2015, 6, 279-289.

　　[4]Xu Xuefei; Zhang Wenjing; Tang Mingsheng; Truhlar Donald 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, 2036-2052.

　　[5]Haoyu S Yu; Zhang Wenjing; Verma Pragya; He Xiao; Truhlar Donald G. Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals, Physical Chemistry Chemical Physics 2015, 17, 12146-12160.

　　[6]Li Yue; Li Fangfang; Zhu Yanyan; Li Xue; Zhou Ziyuan; Liu Chunmei; Zhang Wenjing; Tang Mingsheng. DFT study on reaction mechanisms of cyclic dipeptide generation, Structural Chemistry 2016, 1-9.

　　[7]  Zhang Xuening; Tang Mingsheng; Li Fangfang; Zhu Yanyan; Liu Chunmei; Zhang Wenjing; Wei Donghui. Theoretical study on binding models of copper nucleases containing pyridyl groups to DNA, Theoretical Chemistry Accounts 2015, 134, 1-15.

　　[8]Wang Yanyan; Wang Yang; Zhang Wenjing; Zhu Yanyan; Wei Donghui; Tang Mingsheng. Mechanisms and stereoselectivities of the Rh (i)-catalyzed carbenoid carbon insertion reaction of benzocyclobutenol with diazoester, Organic & Biomolecular Chemistry 2015, 13, 6587-6597.

　　[9]Wang Yang; Wei Donghui; Zhang Wenjing; Wang Yanyan; Zhu Yanyan; Jia Yu; Tang Mingsheng. A theoretical study on the mechanisms of the reactions between 1, 3-dialkynes and ammonia derivatives for the formation of five-membered N-heterocycles, Organic & Biomolecular Chemistry 2014, 12, 7503-7514.

　　[10]  Li Yunxia; Zhu Yanyan; Zhang Wenjing; Wei Donghui; Ran Yingying; Zhao Qilin; Tang Mingsheng. A DFT study on the reaction mechanism of dimerization of methyl methacrylate catalyzed by N-heterocyclic carbene, Physical Chemistry Chemical Physics 2014, 16, 20001-20008.

　　[11]  Zhu Yanyan; Li Yunxia; Zhang Wenjing; Zhao Qilin; Tang Mingsheng. DFT study on reaction mechanisms of propylamine and dimethyl acetylenedicarboxylate with 1,3-dimethylalloxan, Computational and Theoretical Chemistry 2013, 1004, 47-55.

　　[12]  Dong Ben; Lu Shuai; Jiang Jun; Zhang Wenjing; Zhu Weimin; Tang Mingsheng; Yang Guanyu. Aerobic oxidative radical coupling catalyzed by TEMPO for the preparation of 2,2 '-dibenzothiazole disulfide, Journal of Chemical Technology and Biotechnology 2012, 87, 341-345.

　　[13]  Wei Donghui; Zhu Yanyan; Zhang Cong; Sun Dongzhen; Zhang Wenjing; Tang Mingsheng. A DFT study on enantioselective synthesis of aza-b-lactams via NHC-catalyzed [2+2] cycloaddition of ketenes with diazenedicarboxylates, Journal of Molecular Catalysis A: Chemical 2011, 334, 108-115.

　　[14]  Wei Donghui; Tang Mingsheng; Zhang Wenjing; Zhao Jing; Sun Ling; Zhao Chufeng; Wang Homgming. A Density Functional Theory Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Spiroborate Esters, International Journal of Quantum Chemistry 2011, 111, 596-605.

　　[15]  Ma Zhi-Wei; Liu Yu-Xia; Zhang Wen-Jing; Tao Yan; Zhu Yu; Tao Jing-Chao; Tang Ming-Sheng. Highly Enantioselective Michael Additions of Isobutyraldehyde to Nitroalkenes Promoted by Amphiphilic Bifunctional Primary Amine-Thioureas in Organic or Aqueous Medium, European Journal of Organic Chemistry 2011, 6747-6754.

　　[16]  Zhang Cong; Zhu Yanyan; Wei Donghui; Sun Dongzhen; Zhang Wenjing; Tang Mingsheng. Theoretical Study on the Reaction Mechanism between 6-Benzyl-6-azabicyclo[2.2.1]hept-2-ene and Benzoyl Isocyanate to Urea and Isourea, Journal of Physical Chemistry A 2010, 114, 2913-2919. [17]  Sun Dongzhen; Zhu Yanyan; Wei Donghui; Zhang Cong; Zhang Wenjing; Tang Mingsheng. Insight into the multicomponent reaction mechanisms of prop-2-en-1-amine and ethyl propiolate with alloxan derivative: A density functional theory study, Chemical Physics Letters 2010, 495, 33-39.

　　[18]  Zhang Wenjing; Truhlar Donald G; Tang Mingsheng. Explanation of the Source of Very Large Errors in Many Exchange–Correlation Functionals for Vanadium Dimer, Journal of Chemical Theory and Computation 2014, 10, 2399-2409.

　　[19] Zhang Wenjing; Truhlar Donald G.; Tang Mingsheng. 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, 3965-3977.

　　[20]  Zhang Wen-Jing; Wei Dong-Hui; Tang Ming-Sheng. DFT Investigation on Mechanisms and Stereoselectivities of [2+2+2] Multimolecular Cycloaddition of Ketenes and Carbon Disulfide Catalyzed by N-Heterocyclic Carbenes, The Journal of Organic Chemistry 2013, 78, 11849-11859.

　　[21]  Zhang Wenjing; Zhu Yanyan; Wei Donghui; Li Yunxia; Tang Mingsheng. Theoretical Investigations toward the [4 + 2] Cycloaddition of Ketenes with N-Benzoyldiazenes Catalyzed by N-Heterocyclic Carbenes: Mechanism and Enantioselectivity, The Journal of Organic Chemistry 2012, 77, 10729-10737.

　　[22]  Zhang Wenjing; Zhu Yanyan; Wei Donghui; Tang Mingsheng. Mechanisms of the cascade synthesis of substituted 4-amino-1,2,4-triazol-3-one from huisgen zwitterion and aldehyde hydrazone: A DFT study, Journal of Computational Chemistry 2012, 33, 715-722.

　　[23]  Zhang Wenjing; Zhu Yanyan; Wei Donghui; Zhang Cong; Sun Dongzhen; Tang Mingsheng. Direct esterification of p-nitrobenzoic acid with n-butanol using diethyl chlorophosphate in pyridine: A DFT study, Computational and Theoretical Chemistry 2011, 963, 13-17.