2013

1.Daranlot, J.; Hu, X.; Xie, C.; Loison, J.-C.; Caubet, P.; Costes, M.; Wakelam, V.; Xie, D.; Guo, H.; Hickson, K. M., Low temperature rate constants for the N(S-4) + CH(X-2 Pi(r)) reaction. Implications for N-2 formation cycles in dense interstellar clouds. Physical Chemistry Chemical Physics 2013, 15 (33), 13888-13896.

2.Guo, H.; Ma, J.; Jiang, B.; Xie, D., Quantum non-adiabatic dynamics in polyatomic photodissociation. Abstracts of Papers of the American Chemical Society 2013, 245.

3.Hu, X.; Xie, C.; Xie, D.; Guo, H., State-to-state quantum dynamics of the N(S-4) plus CH(X-2 Pi) -> CN(X-2 Sigma(+), A(2)Pi) + H(S-2) reactions. Journal of Chemical Physics 2013, 139 (12).

4.Huang, C.; Ye, X.; Chen, C.; Lin, S.; Xie, D., A computational investigation of CO oxidation on ruthenium-embedded hexagonal boron nitride nanosheet. Computational and Theoretical Chemistry 2013, 1011, 5-10.

5.Jiang, B.; Li, J.; Xie, D.; Guo, H., Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface. Journal of Chemical Physics 2013, 138 (4).

6.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.

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

8.Lei, J.-p.; Zhou, Y.-z.; Xie, D.-q., Theoretical Study on the Rotational Spectra of Ar-(D2S)-S-32 Complex. Chinese Journal of Chemical Physics 2013, 26 (6), 656-660.

9.Li, A.; Xie, C.; Xie, D.; Guo, H., State-to-state quantum dynamics of the O(P-3)+NH(X-3 Sigma(-)) reaction on the three lowest-lying electronic states of HNO/HON. Journal of Chemical Physics 2013, 138 (2).

10.Lin, S.; Ma, J.; Ye, X.; Xie, D.; Guo, H., CO Hydrogenation on Pd(111): Competition between Fischer-Tropsch and Oxygenate Synthesis Pathways. Journal of Physical Chemistry C 2013, 117 (28), 14667-14676.

11.Lin, S.; Ma, J.; Zhou, L.; Huang, C.; Xie, D.; Guo, H., Influence of Step Defects on Methanol Decomposition: Periodic Density Functional Studies on Pd(211) and Kinetic Monte Carlo Simulations. Journal of Physical Chemistry C 2013, 117 (1), 451-459.

12.Wang, L.; Xie, D.; Le Roy, R. J.; Roy, P.-N., A new six-dimensional potential energy surface for H-2-N2O and its adiabatic-hindered-rotor treatment. Journal of Chemical Physics 2013, 139 (3).

13.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.

14.Xiao, M.; Liu, J.; Yang, J.; Wang, R.; Xie, D., Biomimetic membrane control of block copolymer vesicles with tunable wall thickness. Soft Matter 2013, 9 (8), 2434-2442.

15.Xie, C.; Hu, X.; Zhou, L.; Xie, D.; Guo, H., Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2. Journal of Chemical Physics 2013, 139 (1).

16.Yao, X.; Ji, C.; Xie, D.; Zhang, J. Z. H., Interaction specific binding hotspots in Endonuclease colicin-immunity protein complex from MD simulations. Science China-Chemistry 2013, 56 (8), 1143-1151.

17.Zhou, L.; Jiang, B.; Xie, D.; Guo, H., State-to-State Photodissociation Dynamics of H2O in the B-band: Competition between Two Coexisting Nonadiabatic Pathways. Journal of Physical Chemistry A 2013, 117 (32), 6940-6947.

18.Zhou, L.; Lin, G.-S.-M.; Xie, D., State to state photodissociation dynamics of D2O in the B band. Journal of Chemical Physics 2013, 139 (11).