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物理化学系

张欣

时间:2015-03-31 阅读次数:
 
 

张欣,女,1982年出生,中共党员,河南省人。
理学院副教授,硕士生导师。

电话:64446598

电子信箱:zhangxin@mail.buct.edu.cn

导师寄语: 态度决定一切

 

教育经历:

2004.09-2009.06 厦门大学化学系 理学博士

2000.09-2004.07 厦门大学化学系 理学学士

 

工作经历:

2011.06至今 北京化工大学理学院物理化学系 讲师

2009.06-2011.06 北京师范大学化学系 博士后 

2007.09-2008.09 美国西密歇根大学化学系 访问学者

 

主要研究领域

(1) 过渡金属催化剂的理论研究与设计

(2) 生物酶催化反应的分子动力学模拟

 

代表性论文

1. Ran Feng, Ang Xiao, Xin Zhang,* Yanhui Tang, Ming Lei* (2013) “Origins of Stereoselectivity in the Hydrogenation of Ketones Catalyzed by Ru Catalyst: Insights from a Computational Study.” Dalton Trans. 42(6):2130-2145.

2. Xuelu Ma, Xin Zhang, Wenchao Zhang, Ming Lei* (2013) CO Assisted N2 Functionalization Activated by Dinuclear Hafnium Complex: A DFT Mechanistic Exploration. Phys. Chem. Chem. Phys. 15(3): 901-910.

3. Xin Zhang, Xiaojia Guo, Yue Chen, Ming Lei,* Weihai Fang* (2012). Mechanism investigation of Ketone Hydrogenation Catalyzed by Ruthenium Bifunctional Catalysts: Insights from a DFT Study. Phys. Chem. Chem. Phys. 14 (17): 6003-6012.

4. Mawia Hessan, Xin Zhang,* Wenchao Zhang, Biaohua Chen, Ming Lei* (2012) How the Methanol Assists the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study. Chem. Lett. 41 (7): 693-695.

5. Tianhu Yuan, Xin Zhang, Zehan Hu, Fang Wang*, Ming Lei* (2012) Molecular Dynamics Studies of the Antimicrobial Peptides Piscidin 1 and Its Mutants with a DOPC Lipid Bilayer. Biopolymers 97 (12): 998-1009.

6. Xiaojia Guo, Yanhui Tang, Xin Zhang, Ming Lei* (2011) Concerted or Stepwise Hydrogen Transfer in the Transfer Hydrogenation of Acetophenone Catalyzed by Ruthenium-Acetamido Complex? A Theoretical Mechanistic Investigation J. Phys. Chem. A 115(44): 12321-12330.

7. Xin Zhang, Ruibo Wu, Lingchun Song, Yuchun Lin, Menghai Lin, Zexing Cao, Wei Wu, Yirong Mo* (2009) Molecular Dynamics Simulations of the Detoxification of Paraoxon Catalyzed by Phosphotriesterase. J. Comput. Chem. 30(15): 2388-2401.

8. Xin Zhang, Guowei Zhou, Kai Tan, Guocong Guo, Menghai Lin,* Qianer Zhang (2009) Hyperpolarizabilities of Chelidamic Acid Complexes Mm(C7H3O5N)n (M=Cu, Ag): Theoretical Analysis. Chinese J. Chem. 27, 2113-2120.

9. Kazuhito Nakashima; Xin Zhang, Mingli Xiang, Yunchun Lin, Menghai Lin, Yirong Mo* (2008) Block-Localized Wavefunction Energy Decomposition (BLW-ED) Analysis of sigma/pai Interactions in Metal-Carbonyl Bonding. J. Theor. Comput. Chem. 7(4), 639-654.

10. Xin Zhang, Tingting Huang, Kai Tan, Menghai Lin,* Qianer Zhang (2007) Theoretical Studies on Third-Order Nonlinear Optical Response of (ZnS)6~12 Clusters. Chem. J. Chniese U. 28(6), 1126-1130.

 

招生基本要求:

善于思考,有兴趣从事计算化学研究