教授风采
    教授风采
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发布人:化学化工
发布时间:2017-08-21
浏览次数:897

 

   夏其英,女,工学博士,教授,中国化学会女化学工作者委员会委员,买球app副院长,2004年毕业于南京理工大学材料学专业。

研究方向:理论与计算化学、材料学

讲授课程:结构化学,量子化学,物理化学实验等,发表SCI论文60余篇,承担省部级以上教学科研课题10多项。

承担的部分教学科研项目

[1] 加强科教融合,发挥学科优势,探索地方高校拔尖创新型人才培养新模式,山东省本科教改项目(重点),2018.102022.1010万元.

[2]不对称取代第主族叠氮簇合物的分子设计和性能研究(21203086),国家青年科学基金项目,2013.12015.1223万元.

[3]基于氧化环金属化-金属卡宾转移插入构建五并五元环新方法研究(21801109), 国家青年科学基金项目,2019.012021.12, 26.

[4]双金属催化剂上糠醛加氢反应机理的理论研究(ZR2017MB025),山东省自然科学基金,2017.082020.0615万元.

[5]有机半导体材料的多体格林函数理论研究(ZR2019BB072),山东省自然科学基金,2019.072022.0610万元.

[6]主族三元氮化物的单一源前驱体的配方设计和性能研究(ZR2017LB011),山东省自然科学基金,2017.082019.125万元.

 

发表的部分论文

[1] Yunzhi Li, Yaoyao Wei, Xia Leng, Guokui Liu, Qiying Xia, Honglei Wang. Molecular dynamics simulations on fullerene surfactants with di?erent charges at the air–water interface, Physical Chemistry Chemical Physics, 2020, 22, 16353-16358.

[2] Guokui Liu, Jin Feng, Honglei Wang, Fengfeng Gao, Yaoyao Wei, Qiying Xia, Shiling Yuan. The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation, Journal of Molecular Liquids, 2018, 269: 298–303.

[3] Chenggang Gu, Jun Cai, Xiuli Fan, Yongrong Bian, Xinglun Yang, Qiying Xia, Cheng Sun, Xin Jiang. Theoretical investigation of AhR binding property with relevant structural requirements for AhR-mediated toxicity of polybrominated diphenyl ethers, Chemosphere, 2020, 249:126554,1-9.

[4] Yaoyao Wei, Honglei Wang, Qiying Xia, Shiling Yuan. A molecular dynamics study on the dependence of phase behaviors and structural properties of two-dimensional interfacial monolayer on surface, Applied Surface Science, 2018, 459: 741–748.

[5] Yaoyao Wei, Fengfeng Gao, Honglei Wang, Guokui Liu, Qiying Xia, Shiling Yuan. A molecular dynamics study combining with entropy calculation on the packing state of hydrophobic chains in micelle interior, Journal of Molecular Liquids, 2019, 283: 860–866

[6] Yaoyao Wei, Guokui Liu, Honglei Wang, Qiying Xia, Shiling Yuana. Exploring relationship of the state of N-dodecyl betaine in the solution monomer, at the interface and in the micelle via con?gurational entropy, Colloids and Surfaces A, 2020, 600: 124975,1-7.

 

联系电话(微信):15653975716, 邮箱:xiaqiying@163.com