化学化工学院

徐涛个人简介

徐涛,男19892月生,博士,讲师。主要从事有机电子过程的理论模拟和光电材料的理论设计。


个人经历:

20126月,95299九五至尊官网本科毕业

201812月,陕西师范大学物理化学专业博士毕业(硕博连读)

201812-至今 九五至尊改了什么网址任教


发表论文:

1. Tao Xu, Wenliang Wang, Shiwei Yin. Electrostatic polarization energies of charge carriers in organic molecular crystals: A comparative study with explicit state-specific atomic polarizability based AMOEBA force field and implicit solvent method. Journal of Chemical Theory and Computation, 2018, 14(7), 3728-3739.

2. Tao Xu, Wenliang Wang, Shiwei Yin. Explicit method to evaluate the external reorganization energy of charge-transfer reactions in oligoacene crystals using the state-specific polarizable force field. Journal of Physical Chemistry A, 2018, 122(45), 8957-8964.

3. Tao Xu, Wenliang Wang, Shiwei Yin, Yun Wang. Evaluation of electronic polarization energy in oligoacene molecular crystals using the solvated supermolecular approach. Physical Chemistry Chemical Physics, 2017, 19, 14453-14461.

4. Tao Xu, ShiWei Yin. Effective polarization energy of the naphthalene molecular crystal: A study on the polarizable force field. Science China: Chemistry, 2014, 57(10), 1375-1382.

5. Xiaobo Zhao, Tao Xu, Shiwei Yin. A fragment-based approach to evaluate the performance of AMOEBA polarizable force field on charge-carrier electronic polarization. Chemical Physics, 2019, 516, 84-91.

6. ShanShan Zhu, Tao Xu, Shiwei Yin, Yun Wang. Reparameterization of 12-6 Lennard-Jones potentials based on quantum mechanism results for novel tetrahedral N4(Td) explosives. Theoretical Chemistry Accounts, 2016, 135(3), 56.

7. Letian Xu, Guoping Li, Tao Xu, Weidong Zhang, Sikun Zhang, Shiwei Yin, Zhongfu An, Gang He. Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling. Chemical Communications, 2018, 54, 9226-9229.

8. Bing Zhang, Long Huang, Shiwei Yin, Xuetong Li, Tao Xu, Biyang Zhuang, Tao Wang, Zunting Zhang, A. Stephen K. Hashmi. Cascade CO/CC/CN bond formation: Metal-free reactions of 1,4-diynes and 1-en-4-yn-3-ones with isoquinoline and quinoline N-oxides. Organic Letters, 2017, 19(16), 4327-4330.

9. 刘英哲, 来蔚鹏, 尉涛, 葛忠学, 徐涛, 骆艳娇, 尹世伟. 全氮材料基础性能理论研究: Ⅰ.晶体密度预测. 含能材料, 2017, 25(2): 100-105.

10. 刘英哲, 来蔚鹏, 尉涛, 葛忠学, 骆艳娇, 徐涛, 尹世伟. 全氮材料基础性能理论研究: Ⅱ.生成焓预测. 含能材料, 2017, 25(7): 552-556.

11. 徐涛, 隐式溶剂模型计算外重组能. 九五至尊改了什么网址学报, 2019, 39 (3): 70-73.







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