谢代前 - 南京大学 - 化学化工学院

研究领域

主要研究分子势能面与振动转动高激发态，光解动力学以及分子碰撞的理论和计算, 分子与表面的相互作用, 酶催化反应机理等

近期论文

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Andrew R. Whitehill; Changjian Xie; Xixi Hu; Daiqian Xie; Hua Guo; Shuhei Ono Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO2 and the implications to the early earth's atmosphere PNAS 110,17697(2013). Bin Jiang, Daiqian Xie and Hua Guo Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu(111) Chem. Sci. 4,503(2013). Bin Jiang, Rui Liu, Jun Li, Daiqian Xie, Minghui Yang and Hua Guo Mode selectivity in methane dissociative chemisorption on Ni(111) Chem.Sci. 4,3249 (2013).) Bin Jiang, Xuefeng Ren, Daiqian Xie, and Hua Guo Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation PNAS 109,10224(2012). Julien Daranlot, Mohamed Jorfi, Changjian Xie, Astrid Bergeat, Michel Costes, Philippe Caubet, Daiqian Xie, Hua Guo, Pascal Honvault, Kevin M. Hickson Revealing Atom-Radical Reactivity at Low Temperature Through the N + OH Reaction Science , 2011,334(6062)，1538 Sun,ZG,Zhang,DH, Xu.CX,Zhou.SL,Xie.DQ,et.al State-to-State Dynamics of H + O2 Reaction, Evidence for Nonstatistical Behavior J. Am. Chem. Soc , 130, 14962(2008). Wang XG, Dong WR, Xiao CL, Che L, Ren ZF, Dai DX, Wang XY, Casavecchia P, Yang XM, Jiang B, Xie DQ.et.al The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2 Science 322, 573(2008). Xie, DQ ; Ran, H ; Zhou, Y Potential energy surfaces and predicted infrared spectra for van der Waals complexes: dependence on one intramolecular vibrational coordinate Int.Rev.Phys.Chem 26, 487 (2007). Zhang, L ; Xie, D ; Xu, D ; Guo, H Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate Chem.Commun 16, 1638 (2007). M. Qiu, Z. Ren, L. Che, D. Dai, S. A. Harich, X. Wang, X. Yang*, C. Xu, D. Xie*, M. Gustafsson, R. T. Skodje, Z. Sun, and D. H. Zhang*Observation of Feshbach Resonances in the F+H2->HF +H Reaction Science 311, 1440 (2006).