刘玉霞 - 曲阜师范大学 - 化学与化工学院

研究领域

生物分子模拟，金属催化剂的理论设计，金属有机催化反应机理研究

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

[1] Hongliang Wang, Xu Yang, Yuxia Liu*, Siwei Bi*, Theoretical Studies on a New Class of C−C Bond Formation: Pd-Catalyzed Reactions of α-Diazocarbonyl Compounds with Allylic Esters, Organometallics, 33, 1404-1415, 2014. [2] Yuxia Liu, Dongju Zhang*, Jun Gao, and Chengbu Liu. Theoretical Elucidation on the Mechanism of Cleavage of the Aromatic C−C Bond in Quinoxaline by a W-based complex W(PMe3)4(h2-CH2PMe2)H, Chem. Eur. J. 18, 15537-15545, 2012. [3] Yuxia Liu, Dongju Zhang*, and Siwei Bi. Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes, Organometallics, 31, 4769-4778, 2012. [4] Yuxia Liu, Dongju Zhang*, Siwei Bi, and Chengbu Liu. Theoretical Insight into the Mechanism of CO Inserting into the N−H Bond of the Iron(II) Amido Complex (dmpe)2Fe(H)(NH2): An Unusual Self-Promoted Reaction, Organometallics, 31, 365-371, 2012. [5] Yuxia Liu, Dongju Zhang*, Siwei Bi and Chengbu Liu.Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate:[3 + 2]- versus [2 + 2]-cycloaddition products, Org. Biomol. Chem., 11, 336-343, 2013. [6] Yuxia Liu, Guang Chen, Hongliang Wang, Siwei Bi*, and Dongju Zhang*. Theoretical Investigation of the Controlled Metathesis Reactions of Methylruthenium(II) Complexes with Terminal Acetylenes, Eur. J. Inorg. Chem. 2502-2511, 2014. [7] Yuxia Liu, Dongju Zhang*, and Siwei Bi.Theoretical Investigation on the Isomerization Reaction of 4-Phenyl-hexa-1,5-enyne Catalyzed by Homogeneous Au Catalysts, J. Phys. Chem. A, 114, 12893-12899, 2010. [8] Yuxia Liu, Dongju Zhang*, Jianhua Zhou, and Chengbu Liu. Theoretical Elucidation of Au(I)-Catalyzed Cycloisomerizations of Cycloalkyl-substituted 1,5-Enynes: 1,2-alkyl Shift versus C-H Bond Insertion Products, J. Phys. Chem. A, 114, 6164-6170, 2010. [9] Siwei Bi*, Yuxia Liu, Guang Chen, Lisheng Zhang, Min Sun, Ping Li. Theoretical investigation on possible mechanisms on regioselective formation of (h3-siloxyallyl)tungsten complexes, J. Organomet. Chem, 694, 3456-3461, 2009. (第一作者为本人导师) [10] Wenhui Zhong, Yuxia Liu, and Dongju Zhang*. Theoretical Study of Methanol Oxidation on the PtAu(111) Bimetallic Surface: CO Pathway vs Non-CO Pathway, J. Phys. Chem. C, 116, 2994-3000, 2012. [11] Wenhui Zhong, Yuxia Liu, and Dongju Zhang*. A comparative theoretical study for the methanol dehydrogenation to CO over Pt and PtAu clusters, J. Mol. Model., 18, 3051-3060, 2012. [12] Yi zhao, Yuxia Liu, Siwei Bi*, Yongjun Liu*. Theoretical Investigation on the Regioselectivity of Ni(COD)2-Catalyzed [2+2+2] Cycloaddition of Unsymmetric Diynes and CO2, J. Organomet. Chem, 758, 45-54, 2014. [13] Yi Zhao, Yuxia Liu, Siwei Bi*, Yongjun Liu*. Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process? J. Organomet. Chem, 745-746, 166-172, 2013. [14] Lingjun Liu, Jing Sun, Yuxia Liu, Ping Li, and Siwei Bi*. Theoretical Study on CuCl-Catalyzed Coupling of Thiol Esters with Organostannane, J. Phys. Chem. A, 116, 11736-11744, 2012. [15] Tao Liu, Lingli Han, Yuxia Liu, Dongju Zhang*, Wen-Zuo Li. Theoretical investigation on the Pt(II)-catalyzed [3+2] cycloaddition reactions of propargyl ether derivatives with n–butyl vinyl ether, Comput. Theor. Chem., 992, 97-102, 2012. [16] Xiaofeng Xu, Jiong Jia, Hongjian Sun, Yuxia Liu, Wengang Xu ,Yujie Shi, Dongju Zhang*, and Xiaoyan Li* Selective activation of C– F and C– H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex, Dalton Trans. 42, 3417-3428, 2013. [17] Yuxia Liu, Dongju Zhang*, Siwei Bi, and Chengbu Liu. Theoretical Illumination on the Mechanism of CO Inserting into the N−H Bond of Iron (II) Amido Complex: A Unusual Self-promoting Reaction, 第十一届全国量子化学会议摘要集, 261页, 合肥，2011.5.27-30, 专题.