仇毅翔 - 上海交通大学 - 化学化工学院

研究领域

1、过渡金属配合物的结构与电子特性 2、过渡金属配合物催化反应机理的理论研究

近期论文

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Reaction Mechanisms of Ethylene Hydrogenation Catalyzed by Gold(I) Complexes. Qiu Yi-Xiang; Wan Ming-Da; Chen Xian-Yang; Wang Shu-Guang.Acta Physico-Chimica Sinica, 29(2), pp 279-286, 2013. Theoretical Investigations on Tris(pentamethylcyclopentadienyl) Rare Earth Metal Complexes (C5Me5)3Ln (Ln＝Sc, Y, La)Qiu Yi-Xiang; Wang Shu-Guang.Acta Chimica Sinica 2012, 70, 1930. Theoretical Investigations of Phosphine-stabilization on Gold Cluster [Au@Au8(PR3)8]3+(R = Me, OMe, H, F, Cl, CN)Qiu Yi-Xiang; Wang Shu-Guang.Chemical Journal of Chinese Universities-Chinese 2012, 33, 2549. Electronic Structures of Group IB Metal-Ethylene Complexes M-C2H4 (M=Cu, Ag, Au) Qiu Yi-Xiang; Wang Shu-Guang.Acta Physico-Chimica Sinica 2012, 28, 811. Time-dependent Density Functional Theory Studies on the Electronic Spectra of Mo2 and W2 Quadruply Bonded Compounds Qiu Yi-Xiang; Wang Shu-Guang.Chemical Journal of Chinese Universities-Chinese 2011, 32, 161. Theoretical Investigations on Ligand-stabilized Binary Transition-metal Cluster [PdAu8(PR3)8]2+ (R=Me, OMe, H, F, Cl, CN) Qiu Yi-Xiang; Li Jia; Wang Shu-Guang.Acta Chimica Sinica 2010, 68, 611. Density functional theory study on the structures and electronic spectra of quadruply bonded metal compounds M2X4(PMe3)4 (M = Cr, Mo, W; X = F, Cl, Br, I) Qiu Yi-Xiang; Wang Shu-Guang.Acta Chimica Sinica 2006, 64, 1793. Quantum chemical theoretical studies on Au complexes [Au(CH2)2PH2]2X2 (X = F, Cl, Br, I) Qiu Yi-Xiang; Wang Shu-Guang.Acta Chimica Sinica 2006, 64, 1416. A time-dependent DFT study on the electronic excitation states of polycyclic aromatic compound of phenanthrene Qiu, Yi-Xiang; Zhang Yong; Wang Shu-Guang Acta Chimica Sinica 2004, 62, 2030. Gold coated M@Au-12 nano-particles: assessment of different quantum chemical density functional approaches Qiu Yi-Xiang; Wang Shu-Guang; Schwarz, WHEChemical Physics Letters 2004, 397, 374. Theoretical studies on the structure of Hg-hydroiddic compounds Qiu Yi-Xiang; Fang Hua; Zhang Yong; Wang Shu-Guang.Acta Chimica Sinica 2004, 62, 556.