代表论文

 　 Yang, D.; Huang, J.; Hu, X.; Guo, H.; Xie, D., Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules. Nat. Commun. 2019, 10 (1), 4658.

    Chang, Y.; Yu, Y.; Wang, H. L.; Hu, X. X.; Li, Q. M.; Yang, J. Y.; Su, S.; He, Z. G.; Chen, Z. C.; Che, L.; Wang, X. N.; Zhang, W. Q.; Wu, G. R.; Xie, D. Q.; Ashfold, M. N. R.; Yuan, K. J.; Yang, X. M., Hydroxyl super rotors from vacuum ultraviolet photodissociation of water. Nat. Commun. 2019, 10, 7

Han, S.; Zheng, X.; Ndengue, S.;  Song, Y.; Dawes, R.; Xie, D.; Zhang, J.; Guo, H., Dynamical interference in the  vibronic bond breaking reaction of HCO. Science  advances 2019,5 (1), eaau0582-eaau0582.

　　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.