西安市公安局文化保卫支队
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王文亮
  • 职  称:教授(博士生导师)
  • 毕业学校:延安大学
  • 电  话:029-81530815(O)
  • 电子邮箱:wlwang@snnu.edu.cn
  • 研究方向:理论与计算化学;结构化学 Theoretical and Computational Chemistry; Structural Chemistry

个人简介


       长期从事量子化学理论与计算、功能材料结构优化与理论设计等方面的研究工作。目前主持国家自然科学基金1项(基于噻吩-苯低聚物的多功能有机电致发光材料结构的理论设计),曾主持完成国家自然科学基1项(含硫有机小分子冰晶表面大气化学反应机理的理论研究)、陕西省自然科学基金4项,获陕西省科学技术二等奖(系列过渡金属纳米材料的应用基础研究)和教育厅科技进步三等奖(金属原子簇化合物成簇机理的量子化学计算研究)各1项,发表SCI学术论文70余篇。2005年以来主要从事大气化学反应动力学机理、含能材料热力学性质及爆轰性能预测、有机发光材料结构设计等理论研究工作。当前感兴趣的研究领域为:(1) 有机含硫小分子大气化学反应微观动力学机理;(2) 生物分子与小分子相互作用本质与机理;(3) 有机电致发光材料的结构优化与理论设计。
       先后为研究生和本科生开设量子化学、群论、结构化学和物理化学等8门课程。主持《结构化学》省级精品课程建设与相关教改项目3项,合作出版《结构化学》、《中级无机化学》、《中级无机化学学习指导》和《物理化学实验》等教材5部,获陕西省优秀教学成果特等奖一项、二等奖2项。



代表性成果


1. Lingxia Jin, Wenliang Wang*, Daodao Hu, et al., A New Insight on the 5-Carboxycytosine and 5-Formylcytosine under Typical Bisulfite Conditions: A Deamination Mechanism Studies, Phys.Chem.Chem.Phys., 2014, 16 (8), 3573 – 3585.

2. Lingxia Jin, Wenliang Wang*, Daodao Hu, et al., The Effects of Protonation and C5-methylation on the Electrophilic Addition Reaction of Cytosine: A Computational Study, J. Phys. Chem. B, 2013, 117: 312.

3. Lingxia Jin, Wenliang Wang *, Daodao Hu, et al., The Conversion of Protonated [Cytosine-SO3] to [Uracil-SO3]: Insights into the Induced Hydrolytic Deamination through Bisul?te Catalysis, Phys.Chem.Chem.Phys., 2013, 15 (23): 9034 – 9042.

4. Zhang Pei, Wang Wenliang*, Zhang Tianlei, et al., Yongmei Du, Chunying Li, Jian Lü, Theoretical Study on the Mechanism and Kinetics for the Self-reaction of C2H5O2 Radicals, J.Phys. Chem. A, 2012, 116: 4610−4620.

5. Zhang Tianlei, Wang Wenliang*, Lü Jian, et al.,Water-catalyzed gas-phase hydrogen abstraction reactions of CH3O2 and HO2 with HO2: A computational investigation, Phys.Chem.Chem.Phys., 2011, 13: 20794-20805.

6. Cao Jia, Wang Wenliang*, Zhang Yue ,et al., Computational study on the reaction of CH3SCH2CH3 with OH radical: mechanism and enthalpy of formation, Theor. Chem.Acc., 2011, 129: 771-780.

7. Caibin Zhao ,Shiwei Yin, Wenliang Wang*, Theoretical investigation on charge transport parameters of two novel dicyanovinyl heterotetracenes, Synthetic Metals, 2014, 188, 146–155.

8. Zhang Tianlei, Wang Wenliang*, Lü Jian, et al.,Water-catalyzed gas-phase hydrogen abstraction reactions of  CH3O2 and HO2 with HO2: A computational investigation, RSC Advances, 2013, 3: 7381–73917.

9. Dong  Shihong, Wang Wenliang*, Yin Shiwei, et al. Theoretical studies on electronic structures and optical  properties of Alq3 and its difluorinated derivatives, Synthetic Metals, 2009, 159: 385-390.

10. Wang Wenliang*, Jin Lingxia, Wang Weina, et al., Theoretical Studies on Reaction of the Addition and  Hydrogen Abstraction of OH Radical with 5-Methylcytosine, Chem. Phys. Lett., 2007, 444: 359-365.