曾艳丽，博士，教授，博士生导师，化学与材料科学学院院长。
工作和学习经历：
1997年6月毕业于河北师范大学化学系，获理学学士学位；2000年6月研究生毕业于河北师范大学化学系，获理学硕士学位；2005年1月毕业于中国科学院研究生院物理化学专业，获理学博士学位。2000年7月参加工作，2005年11月评为教授。
联系方式：
Email: yanlizeng@hebtu.edu.cn
Tel: (office)
教学方面：
获河北省第八届高等教育教学成果奖一等奖（2019年），河北省第七届高等教育教学成果二等奖（2016年），分别获得河北师范大学第十一届和第十届教学成果奖一等奖（2019年和2016年）。为本科生和研究生开设《结构化学》、《现代结构化学》、《计算化学实验》、《魅力化学》、《群论与化学》等课程。2017年获河北师范大学卓越教师奖，2015年和2018年获优秀研究生指导教师。
科研方面：
研究领域包括：计算量子化学，理论无机化学，物理有机化学。具体研究方向：(1)采用电子密度拓扑分析方法研究特殊化学键的结构；(2) 研究大气中瞬态自由基的相关反应机理，为消除环境污染提供可能的途径和方法。近5年来，在J. Comput. Chem.、Phys. Chem. Chem. Phys.等国内外重要学术刊物上发表SCI论文60余篇，SCI他引200余次。主持国家自然科学基金2项、河北省自然科学基金3项、河北省高等学校百名创新优秀人才计划1项，河北省教育厅项目2项。2005年和2010年两次获得河北省自然科学三等奖。

主持的科研项目：
1. 卤键作用的本质及其在晶体工程中的应用, 国家自然科学基金面上项目, 项目编号：**，研究起止年限：2014.01-2017.12，研究经费：80万元
2. 电子密度拓扑分析理论方法研究弱键结构, 国家自然科学基金青年项目, 项目编号：**，研究起止年限：2009.01-2011.12，研究经费：25万元
3. 第一批河北省高校百名优秀创新人才支持计划(Ⅲ) , 项目编号：SLRC**, 研究起止年限：2017.01-2019.12，研究经费：20万元
4. 新型σ-hole作用的本质及其在催化反应中的应用，河北省自然科学基金面上项目，项目编号：B研究起止年限：2019.1.1-2021.12.31, 研究经费：10.0万元
5.一种新型非共价相互作用—卤键作用的电子密度拓扑分析理论研究, 河北省自然科学基金面上项目, 项目编号: B, 研究起止年限：2015.1.1-2017.12.31, 研究经费：6.0万元
6. 电子密度拓扑分析方法在弱相互作用体系中的应用, 河北省自然科学基金项目, 项目编号：B, 研究起止年限：2008.01-2010.12，研究经费：4.5万元
7. 电子密度拓扑理论方法研究卤键作用及其相关反应，河北省教育厅重点项目，项目编号：ZH**，研究起止年限：2013.01-2015.12，研究经费：6万元
8. 城市光化学烟雾和酸雾形成中瞬变物种的产生及其化学反应，河北省教育厅项目，项目编号：**, 研究起止年限：2008.01-2010.12，研究经费：2万元

代表性科研论文：
1. GuangxiaLi, Lingpeng Meng, Huaiyu Zhang, Xiaoyan Li*, Yanli Zeng*
Electronic Structure of Triangular M3 (M = B, Al, Ga): NonclassicalThree-center Two Electron π Bond and σ Delocalization
Phys.Chem. Chem. Phys., 2020, DOI: 10.1039/D0CP02594A.
2. Ying Li, Lingpeng Meng, Cuihong Sun*, YanliZeng*
Organocatalysis by Halogen, Chalcogen, andPnictogen Bond Donors in Halide Abstraction Reactions: An Alternative toHydrogen Bond-Based Catalysis
J.Phys. Chem. A 2020,124, 3815?3824.
3. Zhihua Hu, YanliZeng*, Xiaoyan Li, Lingpeng Meng*
Enhancing the stability ofperovskites by constructing heterojunctions of graphene/MASnI3
Phys.Chem. Chem. Phys.,2020, 22, 3724–3733.
4.Yanfeng Jia, YanliZeng*,Xiaoyan Li, and Lingpeng Meng *
Effect of Sr Substitution on the Propertyand Stability of CH3NH3SnI3 Perovskite: AFirst-Principles Investigation
International Journal of Energy Research,2020, 44:5765–5778.
5. Jing Cui, Xueying Zhang, Lingpeng Meng*,Qingzhong Li, Yanli Zeng*
Coinage Metal Dimers as the Noncovalent Interaction Acceptors: Study ofthe s-lump Interactions
Phys. Chem. Chem. Phys., 2019, 21, 21152—21161.
6.Mengyu Liu, Yanli Zeng,* Zheng Sun, Lingpeng Meng*
Predicting the halogen-n(n=3-6) synthons to form the “windmill” pattern bonding based on thehalogen-bonded interactions
J.Comput. Chem., 2019, 40,1219–1226.
7. Shuaifei Guo, Cuihong Sun, Lingpeng Meng, YanliZeng*
The mechanism of ring-opening polymerization of L-lactide by ICl3catalysts: Halogen bond catalysis or participating in reactions
J.Comput. Chem. 2019, 40(32), 2827-2833.
8. Runtian Chu, YanliZeng,* Mengyu Liu, Shijun Zheng, and Lingpeng Meng*
Insight into the Effects of ElectrostaticPotentials on the Conversion Mechanism of the Hydrogen-Bonded Complexes andCarbon-Bonded Complexes: An Ab Initio and Quantum Theory of “Atoms in Molecules”Investigation
ACSOmega 2019, 4, 231?241.
9. Wei Guo, Shuang Du, YulongLin, Bo Lu, Caiqin Yang, Jing Wang*, YanliZeng*
Structural and computationalinsights into the enhanced solubility of dipfluzine by complexation: salt andsalt-cocrystal.
NewJ. Chem., 2018, 42,15068—15078
10. Wenzhe Pang, Jie Lv, Shuang Du, Jiaojiao Wang, Jing Wang* and YanliZeng*
Preparation of Curcumin?Piperazine Coamorphous Phase and FluorescenceSpectroscopic and Density Functional Theory Simulation Studies on theInteraction with Bovine Serum Albumin
Mol. Pharmaceutics 2017,14, 3013?3024.
11. Wei Li, Yanli Zeng,* Xiaoyan Li, Zheng Sun, Lingpeng Meng*
Insight into the pseudo π-hole interactions in the M3H6···(NCF)n(M = C, Si, Ge, Sn, Pb; n = 1, 2, 3) complexes
Phys.Chem. Chem. Phys., 2016, 18, 24672–24680.
12. Lei Gao, Yanli Zeng,* Xueying Zhang, and Lingpeng Meng*
Comparative Studies on Group III σ-Hole and π-Hole Interactions
J. Comput. Chem.2016, 37(14), 1321–1327. (Cover image)
13. Wei Li, Yanli Zeng*, Xiaoyan Li, Zheng Sun, Lingpeng Meng*
The Competition of Y···O and X···N Halogen Bonds to Enhance the Group Vσ-hole Interaction in the NCY···O=PH3···NCX and O=PH3···NCX···NCY(X, Y = F, Cl, and Br) Complexes
J. Comput. Chem. 2015, 36, 1349–1358.
14. Shasha Zhao, Baoen Xu, Nannan Sun, Zheng Sun, Yanli Zeng*, andLingpeng Meng*
Improvement in dehydrogenation performance of Mg(BH4)2×2NH3doped with transition metal: First-principles investigation
Int. J. Hydrogen Energ., 2015, 40, 8721-8731.
15. Wenjie Wu, Xiaoyan Li, Lingpeng Meng, Shijun Zheng, Yanli Zeng*
Understanding the Properties of Inorganic Benzenes Based on π-ElectronDensities
J. Phys.Chem. A 2015,119, 2091?2097.
16. Wei Li, Yanli Zeng*, Xueying Zhang, Shijun Zheng, Lingpeng Meng*
The Enhancing Effects of Group V σ-hole Interactions on the F···O HalogenBond
Phys.Chem. Chem. Phys., 2014, 16, 19282-19289.
17. Na Han, Yanli Zeng*, Cuihong Sun, Xiaoyan Li, Zheng Sun,Lingpeng Meng*
N···I Halogen Bonding Interactions: The Influence of Lewis Bases on TheirStrength and Characters
J. Phys. Chem. A, 2014, 118, 7058?7065.
18. Na Han, Yanli Zeng*,Xiaoyan Li, Shijun Zheng, Lingpeng Meng*
Enhancing Effects of Electron-Withdrawing Groups and Metallic Ions onHalogen Bonding in the YC6F4X···C2H8N2(X = Cl, Br, I; Y = F, CN, NO2, LiNC+, NaNC+) Complex
J. Phys. Chem. A, 2013, 117 (48), pp 12959–12968.
19. Yanli Zeng, Wenjie Wu, Xiaoyan Li, Shijun Zheng, LingpengMeng*
Influence of the Li···π Interaction on the H/X···π Interactions inHOLi···C6H6···HOX/XOH (X = F, Cl, Br, I) Complexes
ChemPhysChem, 2013, 14(8):1591–1600.
20. Yanli Zeng, Min Zhu, Xiaoyan Li,Shijun Zheng, Lingpeng Meng*
Assessment of intermolecular interactions at three sites of thearylalkyne in phenylacetylene-containing lithium-bonded complexes: Ab initioand QTAIM studies
J. Comput. Chem.2012, 33, 1321-1327.
21. Yanli Zeng, Xueying Zhang, Xiaoyan Li, Lingpeng Meng, ShijunZheng
The role of molecular electrostatic potentials in the formation ofhalogen bond in furan???XY and thiophene???XY (X=Cl, Br; Y=F, Cl and Br)complexes
ChemPhysChem, 2011, 12,1080-1087.
22. Yanli Zeng, Min Zhu, LingpengMeng, Shijun Zheng
The role of π electronsin the formation of benzene-containing lithium-bonded complexes
ChemPhysChem, 2011, 12, 3584-3590.
23. Yanli Zeng, Jing Hao, ShijunZheng, Lingpeng Meng
Cooperativity between S???π and Rg???π in the OCS???C6H6???Rg(Rg = He, Ne, Ar, and Kr) van der Waals Complexes
J. Phys. Chem. A 2011, 115, 11057–11066.
24. Yanli Zeng, Ke Fan, Xiaoyan Li, Baoen Xu, Xiaozhen Gao,Lingpeng Meng
First-principles studies of the structures and properties of Al- andAg-substituted Mg2Ni alloys and their hydrides
Int. J. Hydrogen Energ.2010, 35, 10349–10358.
25. Yanli Zeng, Lingpeng Meng, XiaoyanLi, Shijun Zheng
Topologicalcharacteristics of electron density distribution in SSXY→XSSY (X or Y = F, Cl,Br, I) isomerization reactions
J. Phys.Chem. A 2007, 11, 9093–9101.
26. Yanli Zeng, Shijun Zheng, Lingpeng Meng
Studies onreactions INCX→IXCN(X=O, S, and Se)
Inorg. Chem., 2004, 43,5311–5320.