谢代前 [教授]>>首页

    谢代前教授,1988年获得吉林大学理论化学研究所物化专业博士学位。1998年获中国化学会青年化学家奖。2002年获教育部第三届高校青年教师奖。 2007年获国家杰出青年基金。在高精度分子势能面的构建和态-态反应动力学研究等方面取得了重要成果,揭示了若干重要反应的微观动力学机制。已发表论文300余篇,包括Science 3篇(与实验合作),PNAS 2篇,JACS 3篇, Chem. Sci. 2篇,Inter. Rev. Phys. Chem. 1篇等。

研究项目

国家自然科学基金重点项目:“复杂多原子反应体系的态-态量子动力学研究”,2018.1—2022.12

国家自然科学基金重大课题:“高能化学激光中传能动力学研究”,2016.1—2020.12

国家自然科学重大研究计划培育项目:“碳氢燃料燃烧过程中氧原子与HO2及C2H2反应的量子动力学研究” ,2017.1—2019.12

国家自然科学重大研究计划集成项目:“振动激发态分子的表面散射动力学研究”,2015.1—2017.12

科技部重大科学研究计划(973课题):“多原子体系的化学反应动力学研究”,2013.1—2017.12

国家自然科学基金重点项目,“分子光解过程态-态动力学的理论和实验研究”,2012.1—2016.12

国家自然科学基金面上项目,“低温下含氮的原子与自由基反应的量子动力学研究”,2013.1—2016.12

国家自然科学重大研究计划集成项目,“振动激发态分子的反应动力学研究”,2013.1—2015.12

代表论文

  Hu, X.; Zhou, L.; Xie, D., State-to-state photodissociation dynamics of the water molecule. Wiley Interdisciplinary Reviews-Computational Molecular Science 2018, 8 (2).

  Xie, C.; Malbon, C. L.; Yarkony, D. R.; Xie, D.; Guo, H., Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State. Journal of the American Chemical Society 2018, 140 (6), 1986-1989.

  Zuo, J.; Xie, C.; Guo, H.; Xie, D., Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment. Journal of Physical Chemistry Letters 2017, 8 (14), 3392-3397.

  Jiang, B.; Yang, M.; Xie, D.; Guo, H., Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity. Chemical Society Reviews 2016, 45 (13), 3621-3640.

  Xie, C.; Ma, J.; Zhu, X.; Yarkony, D. R.; Xie, D.; Guo, H., Nonadiabatic Tunneling in Photodissociation of Phenol. Journal of the American Chemical Society 2016, 138 (25), 7828-7831.

  Zhou, Y.; Xie, D.; Zhang, Y., Amide Rotation Hindrance Predicts Proteolytic Resistance of Cystine-Knot Peptides. Journal of Physical Chemistry Letters 2016, 7 (7), 1138-1142.

  Lei, J.; Zhou, Y.; Xie, D.; Zhang, Y., Mechanistic Insights into a Classic Wonder Drug-Aspirin. Journal of the American Chemical Society 2015, 137 (1), 70-73.

  Xie, C.; Ma, J.; Zhu, X.; Zhang, D. H.; Yarkony, D. R.; Xie, D.; Guo, H., Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band. Journal of Physical Chemistry Letters 2014, 5 (7), 1055-1060.

  Li, J.; Carter, S.; Bowman, J. M.; Dawes, R.; Xie, D.; Guo, H., High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO). Journal of Physical Chemistry Letters 2014, 5 (13), 2364-2369.

  Whitehill, A. R.; Xie, C.; Hu, X.; Xie, D.; Guo, H.; Ono, S., Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO2 and the implications to the early earth's atmosphere. Proceedings of the National Academy of Sciences of the United States of America 2013, 110 (44), 17697-17702.

  Jiang, B.; Liu, R.; Li, J.; Xie, D.; Yang, M.; Guo, H., Mode selectivity in methane dissociative chemisorption on Ni(111). Chemical Science 2013, 4 (8), 3249-3254.

  Jiang, B.; Xie, D.; Guo, H., Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu(111). Chemical Science 2013, 4 (1), 503-508.

  Jiang, B.; Ren, X.; Xie, D.; Guo, H., Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation. Proceedings of the National Academy of Sciences of the United States of America 2012, 109 (26), 10224-10227.

  Daranlot, J.; Jorfi, M.; Xie, C.; Bergeat, A.; Costes, M.; Caubet, P.; Xie, D.; Guo, H.; Honvault, P.; Hickson, K. M., Revealing Atom-Radical Reactivity at Low Temperature Through the N plus OH Reaction. Science 2011, 334 (6062), 1538-1541.

  Lin, S.; Xie, D.; Guo, H., Methyl Formate Pathway in Methanol Steam Reforming on Copper: Density Functional Calculations. Acs Catalysis 2011, 1 (10), 1263-1271.

  Sun, Z.; Zhang, D. H.; Xu, C.; Zhou, S.; Xie, D.; Lendvay, G.; Lee, S.-Y.; Lin, Y.; Guo, H., State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior. Journal of the American Chemical Society 2008, 130 (45), 14962-+.

  Wang, X.; Dong, W.; Xiao, C.; Che, L.; Ren, Z.; Dai, D.; Wang, X.; Casavecchia, P.; Yang, X.; Jiang, B.; Xie, D.; Sun, Z.; Lee, S.-Y.; Zhang, D. H.; Werner, H.-J.; Alexander, M. H., The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2. Science 2008, 322 (5901), 573-576.

  Qiu, M. H.; Ren, Z. F.; Che, L.; Dai, D. X.; Harich, S. A.; Wang, X. Y.; Yang, X. M.; Xu, C. X.; Xie, D. Q.; Gustafsson, M.; Skodje, R. T.; Sun, Z. G.; Zhang, D. H., Observation of Feshbach resonances in the F+H-2 -> HF+H reaction. Science 2006, 311 (5766), 1440-1443.