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个人简介

2015-,西北大学化学与材料科学学院,副教授 2012-2014,美国新墨西哥大学化学与化学生物学系,博士后 2008-2011,南京大学化学化工学院,理论与计算化学专业,博士 2006-2014,重庆邮电大学生物信息学院,助教,讲师 2003-2006,西北大学化学系,物理化学专业,硕士 1999-2003,西北大学化学系,化学专业,学士

研究领域

化学反应动力学, 分子光谱, 电子结构理论

近期论文

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Liu, J.; Yu, J.; Meng, Y.; Jin, L.; Sun, W.; Hou, L.; Chen, S.; Zeng, F.*; Li, A.*; Wang, W.* An Anionic β-Diketiminato Oxoborane with a B–O Double Bond.European Journal of Inorganic Chemistry 2019 DOI:10.1002/ejic.201900384 Yu, J.; Qin, Y.; Tan, G.; Wang, H.; Cheng, H.; Wang, W.*; Li, A.*, Types of Six-Membered N-Heterocyclic Germanium Radicals: A Combined Computational and Experimental Study. Inorganic Chemistry 2019, 58 (9), 5688-5694 Chen, G. K.; Xie, C.; Yang, T.; Li, A.; Suits, A. G.; Hudson, E. R.; Campbell, W. C.; Guo, H., Isotope-selective chemistry in the Be+(2S1/2) + HOD → BeOD+/BeOH+ + H/D reaction.Physical Chemistry Chemical Physics 2019. DOI:10.1039/C8CP06690F Liu, Q.; Li, A.; Li, X.; Li, B.; Zhang, Y.; Li, J.; Guo, Y., Selective visualization of live-cell mitochondrial thiophenols and their induced oxidative stress process by a rationally designed rhodol-based fluorescent probe.Sensors and Actuators B: Chemical 2019, 283, 820-830. Ping, L.; Zhu, Y.; Li, A.; Song, H.; Li, Y.; Yang, M. Dynamics and kinetics of the reaction OH + H2S → H2O + SH on an accurate potential energy surface. Physical Chemistry Chemical Physics 2018, 20 (41), 26315-26324. Yang, T.*; Li, A.*;Chen, G.; Xie, C.;Suits, A.;Campbell, W.; Guo, H.; Hudson, E. Optical Control of Reactions between Water and Laser-Cooled Be+ Ions. Journal of Physical Chemistry Letter 2018, 9 (13), 3555-3560. Stei, M.; Carrascosa, E.; Doerfler, A.; Meyer, J.; Olasz, B.; Czak´o, G,; Li, A.; Guo, H.; Wester, R. Stretching vibration is spectator in nucleophilic substitution. Science Advances 2018, 4, eaas9544 Li, H.; Li, A.*; Dou, Y., Molecular dynamics simulation of primary detonation process of TATB crystal under shock loading. Molecular Simulation 2018, 44 (15), 1176-1182. Wang, X.; Liu, J.; Yu, J.; Hou, L.; Sun, W.; Wang, Y.; Chen, S.; Li, A.*; Wang, W.*, GeI–GeI Coupling Reaction Induced by a Mixture of CoBr2 and a Seven-Membered N-Heterocyclic Carbene. Inorganic Chemistry 2018, 57 (6), 2969-2972. Bai, X.; Jia, C.; Zhao, Y.; Yang, D.; Wang, S.-C.; Li, A.; Chan, Y.-T.; Wang, Y.-Y.; Yang, X.-J.; Wu, B., Peripheral Templation-Modulated Interconversion between an A4L6 Tetrahedral Anion Cage and A2L3 Triple Helicate with Guest Capture/Release. Angewandte Chemie International Edition 2018, 57 (7), 1851-1855. Fan, Y.; Chen, J.; Yu, L.; Li, A.; Zhai, G.; Lei, Y.; Zhu, C., Methyl substitution enhanced photoisomerization of trans,trans-1,4-diphenyl-1,3-butadiene: direct ab initio trajectory surface hopping dynamic simulations. Physical Chemistry Chemical Physics 2018, 20 (4), 2260-2273. Ma, Y.; Ma, X.; Li, A.; Guo, H.; Yang, L.; Zhang, J.; Hase, W., Potential Energy Surface Stationary Points and Dynamics of the F- + CH3I Double Inversion Mechanism. Physical Chemistry Chemical Physics, 2017, 19 (30), 20127-20136 Lu, X.; Cheng, H.; Meng, Y.; Wang, X.; Hou, L.; Wang, Z.; Chen, S.; Wang, Y.; Tan, G.*; Li, A.*; Wang, W.*, A Two-Coordinate Neutral Germylene Supported by a β-Diketiminate Ligand in the Radical State. Organometallics 2017, 36 (15), 2706-2709 Song, H.; Li, A.; Yang, M; Guo, H.,Competition between the H- and D-atom transfer channels in the H2O+ + HD reaction: reduced-dimensional quantum and quasi-classical studies. Physical Chemistry Chemical Physics 2017, 19(26), 17396-17403 Yang, M.; Huo, C.; Li, A.; Lei, Y.; Yu, L.; Zhu, C., Excited-state E → Z photoisomerization mechanism unveiled by ab initio nonadiabatic molecular dynamics simulation for hemithioindigo-hemistilbene. Physical Chemistry Chemical Physics 2017, 19(19), 12185-12198 Wang, Z.; Li, A.*; Gou, L.; Ren, J.; Zhai, G.*,Computational Electrochemistry Study of Derivatives of Anthraquinone and Phenanthraquinone Analogues: the Substitution Effect. RSC Advances 2016, 6(92), 89827-89835 Le Gal, R.; Herbst, E.; Xie, C.; Li, A.; Guo, H., The ortho-to-para ratio of interstellar NH2: Quasi-classical trajectory calculations and new simulations. Astronomy & Astrophysics 2016, 596, A35 Song, H.; Li, A.; Guo, H.; Xu, Y.; Xiong, B.; Chang, Y. C.; Ng, C., Comparison of Experimental and Theoretical Quantum-state-selected Integral Cross Sections for the H2O+ + H2 (D2) Reactions in the Collision Energy Range of 0.04-10.00 eV. Physical Chemistry Chemical Physics 2016,18,22509-22515. Guan, L.; Li, A.; Song, Y.; Yan, M.; Gao, D.; Zhang, X.; Li, B.; Wang, L., Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study. Journal of Organic Chemistry 2016,81,6303-6313 Mauguière, F. A. L.;* Collins, P.;* Stamatiadis, S.;* Li A.*; Ezra, G. S.;* Farantos, S. C.;* Kramer, Z. C.;* Carpenter, B. K.;* Wiggins, S.;* Guo, H.*: Toward Understanding the Roaming Mechanism in H + MgH → Mg + HH Reaction. Journal of Physical Chemistry A 2016, 120, 5145-5154.

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