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个人简介

2008/7-至今 上海工程技术大学 2003/9-2008/6 中国科学技术大学, 有机化学,博士 1998/9-2002/6 湖北大学,化学教育,学士

研究领域

1.物理有机化学 2. 量子化学计算

近期论文

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Huifang Chang, Wenrui Zheng*, Yuanyuan Zheng, Danfeng Zhu, Jiaoyang Wang. The DFT study on Rh–C bond dissociation enthalpies of (iminoacyl) rhodium(III)hydride and (iminoacyl)rhodium(III)alkyl. Tetrahedron Letters2019, 60, 310-321. Yuanyuan Zheng, Wenrui Zheng*, Jiaoyang Wang, Huifang Chang, Danfeng Zhu. Computational study on N−N homolytic bond dissociation enthalpies of hydrazine derivatives. J. Phys. Chem. A2018, 122, 2764−2780. Jiaoyang Wang, Wenrui Zheng*, Yuanyuan Zheng. Theoretical study on homolytic B–B cleavages of diboron(4) compounds. RSC Adv. 2017, 7, 49251-49272. Jiaoyang Wang, Wenrui Zheng*, Lanlan Ding, Yingxing Wang. Computational study on C–B homolytic bond dissociation enthalpies of organoboron compounds. New J. Chem., 2017, 41, 1346-1362. Wenrui Zheng*, Lanlan Ding, Jiaoyang Wang, Yingxing Wang. Computational study on alkenyl/aryl C(sp2)–O homolytic cleavage of carboxylates and carbamates. RSC Adv.2016, 6, 26514-26525. Yingxing Wang, Wenrui Zheng*, Lanlan Ding. The C–H Bond dissociation enthalpies in fused N-heterocyclic compounds. Russian Journal of Physical Chemistry A2016, 90(3), 610-621. Lanlan Ding, Wenrui Zheng*, Yingxing Wang. Theoretical study on homolytic C(sp2)–O cleavage in ethers and phenols. NewJ. Chem., 2015, 39, 6935-6943. Lanlan Ding, Wenrui Zheng*, Yingxing Wang. The homolytic C-O cleavage in phosphates and sulfonates. J. Phys. Chem. A, 2015,119, 3488-3499. Yingxing Wang, Wenrui Zheng*. A comparison of the C‒H bond dissociation enthalpies of sulfur-containing fused heterocyclic compounds to the C‒H bond dissociation enthalpies in other heterocycles. Journal of Sulfur Chemistry, 2015, 36, 155-169. Yingxing Wang, Wenrui Zheng*. A theoretical study on C–H bond dissociation enthalpies of oxygen-containing fused heterocyclic compounds. Res Chem Intermed, 2015, 41, 7207-7225. Wenrui Zheng*, Wuxia Xu, Yingxing Wang, Zhichong Chen. The theoretical assessment and prediction of C-Br bond dissociation enthalpies. Computational and Theoretical Chemistry. 2014, 1027, 116-124. Wenrui Zheng*, Zhichong Chen, Wuxia Xu. DFT study on homolytic dissociation enthalpies of C-I bonds. Chinese Journal of Chemical Physics, 2013, 26, 541-548. Wenrui Zheng*, Zhichong Chen, Jingli Xu, Qi Yang, Tao Huang. S=O homolytic bond dissociation enthalpies in sulfones: high-level ab-initio and DFT study. Journal of Sulfur Chemistry, 2012, 33, 541-559. Wenrui Zheng*, Zhiling Guo, Zhichong Chen, Qi Yang, Tao Huang. S=O homolytic bond dissociation enthalpies in sulfoxides. Res Chem Intermed, 2012, 38, 1791-1806. Wenrui Zheng*, Jingli Xu, Tao Huang, Zhichong Chen, Qi Yang. P=O bond dissociation enthalpies: High-level ab initio and DFT study. Computational and Theoretical Chemistry2011, 968, 1-7. Wenrui Zheng*, Jingli Xu, Tao Huang, Qi Yang, Zhichong Chen. Hydrogen bonding interaction between ureas or thioureas and nitro-compounds. Res Chem Intermed2011, 37, 31-45. Wenrui Zheng*, Jingli Xu, Rui Xiong. Density functional theory study on N-O bond dissociation enthalpies. Acta Phys. -Chim. Sin. 2010, 26(9), 2535-2542. Wenrui Zheng, Yao Fu, Lei Liu, Qingxiang Guo*. G3//BMK and its application to calculation of bond dissociation enthalpies. J. Chem. Theory Comput.2008, 4, 1324-1331. Wenrui Zheng, Yao Fu, Huajing Wang, Qingxiang Guo*. C-H bond dissociation enthalpies of hydrocarbons by DFT studies. Chin. J. Org. Chem.2008, 28(3), 459-466. Wenrui Zheng, Yao Fu, Kuang Shen, Lei Liu, Qingxiang Guo*. Theoretical study on hydrogen bonding interaction of ureas and thioureas with imines. Journal of Molecular Structure: THEOCHEM2007, 822, 103-110.

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