电话:
电子邮箱:zhangxin@mail.buct.edu.cn
实验室楼名及房间号:无机楼206
v 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。
v 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。
v 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。
v 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;
v 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 by variational 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 diatomic molecules:a challenge for electronic structure theory” Phys. Chem. Chem. Phys. 19, 5839-5854.
(3)Hui Zhang; Xin Zhang*; Donald G. Truhlar; Xuefei Xu*. Nonmonotonic Temperature Dependence of the Pressure-Dependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational 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). “Mechani**s for the Deamination Reaction of 8-Oxoguanine Catalyzed by 8-Oxoguanine Deaminase: A Combined QM/MM Molecular Dynamics Study”. J Theor Comput Chem,. 1650066.
(5)Bao Junwei Lucas, Xin Zhang*, and D. G. Truhlar* (2016) “Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: A definitive test for fluoroform dissociation”. 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 Dinitrogen Transition-metal Complexes.” Acta Chim Sinica. 74(4), 340-350.
(7)Xinli Duan, Xin Zhang*, Binglin Xu, Fang Wang, and Ming Lei* (2016) “Computational Study and Modified Design of Selective Dopamine D3 Receptor 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 dynamics simulations 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/MM Molecular Dynamics Simulation on the Mechani**s for the Hydrolytic Deamination of Nicotinamidase” Chem. J. Chniese U.,36(12), 2491-2496.
v 招生专业:
物理化学、应用化学、材料化学、化学工程与技术等。
v 招生要求:
(1)踏实认真;
(2)有责任心。