2019-11-17 16:31:09
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有机化学与化学生物学学部

无机化学与材料化学学部

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书记信箱:
chemdzz@nwu.edu.cn

院长信箱:
chemdir@nwu.edu.cn

 
 
.师资队伍.
  姓名李安阳   性别:男   民族:汉
  部门:物理化学学部    出生年月:1981.2
  籍贯:安徽   职称:副教授
  邮箱:liay@nwu.edu.cn
研究方向: Reaction Dynamics, Potential Energy Surface, Spectroscopy
简    介
教育及工作经历
1999-2003,西北大学化学系,化学专业,学士
2003-2006,西北大学化学系,物理化学专业,硕士
2006-2014,重庆邮电大学生物信息学院,助教,讲师
2008-2011,南京大学化学化工学院,理论与计算化学专业,博士
2012-2014,美国新墨西哥大学化学与化学生物学系,博士后
2015-,西北大学化学与材料科学学院,副教授

荣誉
2016年陕西省特聘专家

主要研究方向:
1.高精度势能面
2.分子光谱
3.反应动力学
4.电子结构理论

Publications:
2019
4. 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

3. 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

2. 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.

1. 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

2018
7. 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.

6. 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.

5. 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

4. 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.

3. 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.

2. 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.

1. 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.

2017
4. 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

3. 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

2. 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

1. 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

2016
7. 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

6. 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

5. 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.

4. 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

3. 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.

2.Song, H.; Li A.; Guo, H.: Rotational and Isotopic Effects in the H2 + OH+ → H + H2O+ Reaction.
Journal of Physical Chemistry A 2016, 120, 4742-4748.

1. Gao, D.; Li A.; Guan, L.; Zhang, X.; Wang, L. Y.: Solvent-dependent ratiometric fluorescent merocyanine dyes: Spectral properties, interaction with BSA as well as biological applications.
Dyes and Pigments 2016, 129, 163-173

2015
3. Martinez, O.; Ard, S. G.; Li A.; Shuman, N. S.; Guo, H.; Viggiano, A. A.: Temperature-dependent kinetic measurements and quasi-classical trajectory studies for the OH+ + H2/D2 → H2O+/HDO+ + H/D reactions.
Journal of Chemical Physics 2015, 143, 114310.

2. Martinez, O.; Sanchez, J. C.; Ard, S. G.; Li, A.; Melko, J. J.; Shuman, N. S.; Guo, H.; Viggiano, A. A., Selected-ion flow tube temperature-dependent measurements for the reactions of O2+ with N atoms and N2+ with O atoms.
Journal of Chemical Physics 2015, 142 (15), 154305.

1. Li, A; Guo, H., Prediction of mode specificity in 1,3-dipolar cycloadditions using the Sudden Vector Projection model.
Chemical Physics Letters 2015, 624, 102-106.

2014年及以前
26. Han, H.; Li, A; Guo, H., Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization. Journal of Chemical Physics 2014, 141(24), 244312。
25. Ard, S. G.; Li, A; Martinez, O.; Shuman, N. S.; Viggiano, A. A.; Guo, H., Experimental and Theoretical Kinetics for the H2O+ + H2/D2→ H3O+/H2DO+ + H/D Reactions: Observation of the Rotational Effect in the Temperature Dependence. Journal of Physical Chemistry A 2014, 118 (49), 11485–11489.
24. Li, A; Guo, H., A Full-dimensional Global Potential Energy Surface of H3O+ (a3A) for the OH+ (X3Σ-)+ H2 (X1Σ+g)→ H (2S)+ H2O+ (X2B1) Reaction. Journal of Physical Chemistry A 2014, 118 (47), 11168–11176.
23. Ard, S. G.; Melko, J. J.; Martinez, O.; Ushakov, V. G.; Li, A; Johnson, R. S.; Shuman, N. S.; Guo, H.; Troe, J.; Viggiano, A. A., Further Insight into the Reaction FeO+ + H2 → Fe+ + H2O: Temperature Dependent Kinetics, Isotope Effects, and Statistical Modeling. Journal of Physical Chemistry A 2014, 118 (34), 6789-6797.
22. Li, A; Guo, H., A nine-dimensional ab initio global potential energy surface for the H2O+ + H2 → H3O+ + H reaction. Journal of Chemical Physics 2014, 140 (22), 224313.
21. Li, A; Li, Y.; Guo, H.; Lau, K.-C.; Xu, Y.; Xiong, B.; Chang, Y.-C.; Ng, C. Y., Communication: The origin of rotational enhancement effect for the reaction of H2O+ + H2 (D2). Journal of Chemical Physics 2014, 140 (1), 011102.
20. Dawes, R.; Lolur, P.; Li, A; Jiang, B.; Guo, H., Communication: An accurate global potential energy surface for the ground electronic state of ozone. Journal of Chemical Physics 2013, 139 (20), 201103.
19. Li, A; Guo, H.; Sun, Z.; Klos, J.; Alexander, M. H., State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface. Physical Chemistry Chemical Physics 2013, 15 (37), 15347-15355.
18. Li, A; Li, J.; Guo, H., Quantum Manifestation of Roaming in H + MgH → Mg + H2: The Birth of Roaming Resonances. Journal of Physical Chemistry A 2013, 117 (24), 5052-5060.
17. Li, A; Xie, C.; Xie, D.; Guo, H., State-to-state quantum dynamics of the O(3P) + NH (X3Σ-) reaction on the three lowest-lying electronic states of HNO/HON. Journal of Chemical Physics 2013, 138 (2), 024308.
16. Li, A; Lin, S.; Xie, D. Q., Ab Initio Potential Energy Surfaces for Both the Ground (X1A') and Excited (A1A") Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr. Advances in Physical Chemistry 2012, 2012, 10.1155/2012/572148.
15. Xie, C.; Li, A; Xie, D.; Guo, H., State-to-state quantum dynamics of the N(4S) + OH(X2Π) → H(2S) + NO(X2Π) reaction Journal of Chemical Physics 2011, 135 (16), 164312.
14. Li, A; Han, H.; Xie, D., Global ab initio potential energy surfaces for both the ground (X1A') and excited (A1A") electronic states of HNO and vibrational states of the Renner-Teller A1A"–X1A' system. Journal of Chemical Physics 2011, 135 (10), 104304.
13. Li, A; Xie, C.; Xie, D.; Guo, H., A global ab initio potential energy surface for HNO (a3A") and quantum mechanical studies of vibrational states and reaction dynamics. Journal of Chemical Physics 2011, 134 (19), 194309.
12. Dou, Y. S.; Li, W.; Yuan, S. A.; Zhang, W. Y.; Li, A; Shu, K. X.; Tang, H., Dynamics Simulation of Photophysical Deactivation Pathway for Stacked Thymines. Acta Physico-Chimica Sinica 2011, 27 (11), 2559-2564.
11. Li, H. J.; Li, A; Tang, H.; Dou, Y. S., Molecular Dynamics Simulation of Effect of a Femtosecond Laser on the Photofragmentation Reaction Mechanism of C(60). Acta Physico-Chimica Sinica 2011, 27 (9), 2072-2078.
10. Yuan, S. A.; Zhang, W. Y.; Li, A; Zhu, Y. M.; Dou, Y. S., Dynamics Simulation of a New Deactivation Pathway for Stacked Adenines. Acta Physico-Chimica Sinica 2011, 27 (4), 825-830.
9. Ma, J. Y.; Guo, H.; Xie, C. J.; Li, A; Xie, D. Q., State-to-state quantum dynamics of the H(2S) + O2(a1Δg) → O(3P) + OH(X2Π) reaction on the first excited state of HO2(A2A'). Physical Chemistry Chemical Physics 2011, 13 (18), 8407-8413.
8. Li, A; Xie, D.; Dawes, R.; Jasper, A. W.; Ma, J.; Guo, H., Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (A2A') state of HO2. Journal of Chemical Physics 2010, 133 (14), 144306.
7. Zhang, W. Y.; Yuan, S. A.; Li, A; Dou, Y. S.; Zhao, J. S.; Fang, W. H., Photoinduced Thymine Dimerization Studied by Semiclassical Dynamics Simulation. Journal of Physical Chemistry C 2010, 114 (12), 5594-5601.
6. Li, A; Han, H. X.; Suo, B. B.; Wang, Y. B.; Wen, Z. Y., A modified multi-reference second order perturbation theory. Science China-Chemistry 2010, 53 (4), 933-939.
5. Li, A; Yuan, S. A.; Dou, Y. S.; Wang, Y. B.; Wen, Z. Y., Semiclassical dynamic simulation of photon induced ring-opening of cyclohexadiene to hexatriene. Chemical Physics Letters 2009, 478 (1-3), 28-32.
4. Lei, Y. B.; Suo, B. B.; Li, A; Dou, Y. S.; Wang, Y. B.; Wen, Z. Y., Involvement of excited triplet state in the photodissociation of cyclobutane. International Journal of Quantum Chemistry 2008, 108 (4), 788-796.
3. Li, A; Wang, Y. B.; Dou, Y. S.; Wen, Z. Y., Potential energy curves for the X1Σ+g, B1Δg and B'1Σ+g states of C2 using MRCI and approximate CI methods. Science in China Series B-Chemistry 2007, 50 (5), 614-619.
2. Dou, Y. S.; Lei, Y. B.; Li, A; Wen, Z. Y.; Torralva, B. R.; Lo, G. V.; Allen, R. E., Detailed dynamics of the photodissociation of cyclobutane. Journal of Physical Chemistry A 2007, 111 (6), 1133-1137.
1. Li, A; Suo, B.; Wen, Z. Y.; Wang, Y. B., Potential energy surfaces for low-lying electronic states of SO2. Science in China Series B-Chemistry 2006, 49 (4), 289-295

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