2012

1.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.

2.Jiang, B.; Xie, D., Theoretical Studies for Photodissociation Dynamics of Small Molecules. Progress in Chemistry 2012, 24 (6), 1120-1128.

3.Jiang, B.; Xie, D.; Guo, H., State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band. Journal of Chemical Physics 2012, 136 (3).

4.Lei, J.; Xiao, M.; Zhou, Y.; Xie, D., A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Ne-H2S complex. Journal of Chemical Physics 2012, 136 (21).

5.Lei, J.; Zhou, Y.; Xie, D., A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Ar-H2S complex. Journal of Chemical Physics 2012, 136 (8).

6.Lei, J.; Zhou, Y.; Xie, D.; Zhu, H., A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Kr-H2O complex. Journal of Chemical Physics 2012, 137 (22).

7.Li, J.; Wang, Y.; Jiang, B.; Ma, J.; Dawes, R.; Xie, D.; Bowman, J. M.; Guo, H., Communication: A chemically accurate global potential energy surface for the HO+CO -> H+CO2 reaction. Journal of Chemical Physics 2012, 136 (4).

8.Li, J.; Xie, C.; Ma, J.; Wang, Y.; Dawes, R.; Xie, D.; Bowman, J. M.; Guo, H., Quasi-Classical Trajectory Study of the HO+CO -> H+CO2 Reaction on a New ab Initio Based Potential Energy Surface. Journal of Physical Chemistry A 2012, 116 (21), 5057-5067.

9.Lin, S.; Xie, D., Initial Decomposition of Methanol and Water on In2O3(110): A Periodic DFT Study. Chinese Journal of Chemistry 2012, 30 (9), 2036-2040.

10.Lin, S.; Xie, D.; Guo, H., First-principles study of the methyl formate pathway of methanol steam reforming on PdZn(111) with comparison to Cu(111). Journal of Molecular Catalysis a-Chemical 2012, 356, 165-170.

11.Wang, L.; Xie, D., Finite temperature path integral Monte Carlo simulations of structural and dynamical properties of Ar-N-CO2 clusters. Journal of Chemical Physics 2012, 137 (7).

12.Wang, L.; Xie, D.; Le Roy, R. J.; Roy, P.-N., A new four-dimensional ab initio potential energy surface for N2O-He and vibrational band origin shifts for the N2O-He-N clusters with N=1-40. Journal of Chemical Physics 2012, 137 (10).

13.Xiao, M.; Xia, G.; Wang, R.; Xie, D., Controlling the self-assembly pathways of amphiphilic block copolymers into vesicles. Soft Matter 2012, 8 (30), 7865-7874.

14.Xie, C.; Jiang, B.; Xie, D.; Sun, Z., Quantum state-to-state dynamics for the quenching process of Br(P-2(1/2)) + H-2(v(i)=0, 1, j(i)=0). Journal of Chemical Physics 2012, 136 (11).

15.Xie, C.; Li, J.; Xie, D.; Guo, H., Quasi-classical trajectory study of the H+CO2 -> HO+CO reaction on a new ab initio based potential energy surface. Journal of Chemical Physics 2012, 137 (2).