硕士生导师

曾艳丽

发布时间:2015-03-10   浏览次数:0

曾艳丽,博士,教授,博士生导师,化学与材料科学学院副院长。

工作和学习经历:

19976月毕业于河北师范大学化学系,获理学学士学位;20006月研究生毕业于河北师范大学化学系,获理学硕士学位;20051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。20007月参加工作,200511月评为教授。

联系方式:

Email: yanlizeng@hebtu.edu.cn

Tel: 0311-80787406(office)

教学方面:

2016年度校级教学成果一等奖1项和河北省第七届高等教育教学成果二等奖1项。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年获河北师范大学优秀研究生指导教师。

科研方面:

无机化学专业博士生导师,物理化学专业硕士生导师,研究方向为计算量子化学。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40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2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:21371045,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:20801017,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() , 项目编号:SLRC2017041, 研究起止年限:2017.01-2019.12,研究经费:20万元

4.一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: B2015205045, 研究起止年限:2015.1.1-2017.12.31, 研究经费:6.0万元

5. 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:B2008000138, 研究起止年限:2008.01-2010.12,研究经费:4.5万元

6. 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:ZH2012006,研究起止年限:2013.01-2015.12,研究经费:6万元

7. 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:2007123, 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.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, DOI:10.1002/jcc.25781.

2. 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.

3. 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

4. Wenzhe Pang, Jie Lv, Shuang Du, Jiaojiao Wang, Jing Wang* and YanliZeng*

Preparation of CurcuminPiperazine Coamorphous Phase and FluorescenceSpectroscopic and Density Functional Theory Simulation Studies on theInteraction with Bovine Serum Albumin

Mol. Pharmaceutics2017,14, 30133024.

5. 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, 2467224680.

6. 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)

7. 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.

8. 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.

9. 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.

10. 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.

11. 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.

12. 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.

13. 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.

14. 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.

15. 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.          

16. 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.    

17. 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.

18. 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.

19. 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, 90939101.      

20. Yanli Zeng, Shijun Zheng, Lingpeng Meng

Studies onreactions INCX→IXCN(X=O, S, and Se)

Inorg. Chem., 2004, 43, 53115320.