张欣 女;副教授、硕士生导师;中共党员 电话: 实验室楼名及房间号:无机楼206 目前主讲课程: 《物理化学》、《计算化学》等。 v 教育经历: 2004年毕业于厦门大学化学系,获学士学位; 2009年毕业于厦门大学化学系,获博士学位。 工作经历: 2007.09-2008.09:美国西密歇根大学,化学系,访问学者,合作者:莫亦荣 教授; 2009.06-2011.09:北京师范大学,化学系,博士后,合作导师:方维海 院士; 2011.09-2014.12:北京化工大学,理学院物理化学系,讲师; 2015.09-2016.09:美国明尼苏达大学双城分校,化学系,访问学者,合作者:Don G. Truhlar 院士; 2015.01-至今:北京化工大学,理学院物理化学系,副教授。 主要研究领域: (1)功能性材料设计与模拟; (2)均相催化反应机理研究; (3)药物分子设计。 主持或参与课题及项目研究情况: (1)主持:环烷烃类物质在航空发动机燃烧中的宽范围动力学理论研究,在研; (2)参与:廉价金属配合物催化C=C双键氢化反应的理论研究,在研; 发表论文情况: 累计发表SCI学术论文30余篇。代表性论文如下: (1)Bao Lucas Junwei, Xin Zhang*, and D. G. Truhlar*(2016) “Barrierless association of CF2 and dissociation of C2F4 byvariational transition state theory and system-specific quantum RRK theory,”Proc. Natl. Acad. Sci. USA, 113(48), 13606-13611. (2)Bao Lucas Junwei, Xin Zhang*, and D. G. Truhlar* (2017)“Predicting bond dissociation energy and bond length for bimetallic diatomicmolecules:a challenge for electronic structure theory” Phys. Chem. Chem. Phys.19, 5839-5854. (3)Hui Zhang; Xin Zhang*; Donald G. Truhlar; Xuefei Xu*. NonmonotonicTemperature Dependence of the Pressure-Dependent Reaction Rate Constant andKinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated byVariational Transition-State Theory, J. Phys. Chem. A, 2017, 121(47):9033-9044. (4)Xin Zhang*, Yuan Zhao,Xinli Duan, Hui N.Zhang, Zexing Cao, Yirong Mo (2016). “Mechanisms for the Deamination Reactionof 8-Oxoguanine Catalyzed by 8-Oxoguanine Deaminase: A Combined QM/MM MolecularDynamics Study”. J Theor Comput Chem,. 1650066. (5)Bao Junwei Lucas, Xin Zhang*, and D. G. Truhlar* (2016)“Predicting pressure-dependent unimolecular rate constants using variationaltransition state theory with multidimensional tunneling combined withsystem-specific quantum RRK theory: A definitive test for fluoroformdissociation”. Phys. Chem. Chem. Phys. 18(25), 16659-16670. (6)Yiwei Zhang, Xuelu Ma, Xin Zhang*, Ming Lei* (2016)“Theoretical Study on N-N Activation by Thiolate-bridged Dinuclear DinitrogenTransition-metal Complexes.” Acta Chim Sinica. 74(4), 340-350. (7)Xinli Duan, Xin Zhang*, Binglin Xu, Fang Wang, and MingLei* (2016) “Computational Study and Modified Design of Selective Dopamine D3Receptor Agonists.” Chem Bio Drug Des. 88(1), 142-154. (8)Xin Zhang, Yuan Zhao, Honggao Yan,Zexing Cao, Yirong Mo (2016) “Combined QM (DFT)/MM molecular dynamicssimulations of the deamination of cytosine by yeast cytosine deaminase (yCD).”J. Comput. Chem. 37(13), 1163-1174. (9)Xinli Duan, Xin Zhang*, Ming Lei* (2015) “QM/MMMolecular Dynamics Simulation on the Mechanisms for the Hydrolytic Deaminationof Nicotinamidase” Chem. J. Chniese U.,36(12), 2491-2496. 招生专业: 物理化学、应用化学、材料化学、化学工程与技术等。 招生要求: (1)踏实认真; (2)有责任心。
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