2006

1.Hua, Z.; Yong, G.; Ying, X.; Daiqan, X., Ab initio potential energy surface and predicted microwave spectra for Ar-OCS dimer and structures of Ar-n-OCS (n = 2-14) clusters. Journal of Computational Chemistry 2006, 27 (9), 1045-1053.

2.Jin, L.; Wu, Y.; Xue, Y.; Guo, Y.; Xie, D. Q.; Yan, G. S., Theoretical studies on the aminolysis of phenyl formate. Mechanism and solvent effect. Acta Chimica Sinica 2006, 64 (9), 873-878.

3.Ke, Z. H.; Lai, W. Z.; Xie, D. Q.; Zhang, D. H., First-principles potential energy surfaces and vibrational states of H/Rh(111) at 0.25 and 1 monolayer coverages. Journal of Applied Physics 2006, 99 (11).

4.Lai, W.; Xie, D., First-principles study of K and cs adsorbed on Pd(111). Journal of Physical Chemistry B 2006, 110 (47), 23904-23910.

5.Lin, S. Y.; Guo, H.; Honvault, P.; Xie, D., Quantum dynamics of the H+O-2 -> O+OHreaction on an accurate Ab initio potential energy surface. Journal of Physical Chemistry B 2006, 110 (47), 23641-23643.

6.Lin, S. Y.; Xie, D.; Guo, H., Revelation of non-statistical behavior in HO2 vibration by a new ab initio potential energy surface. Journal of Chemical Physics 2006, 125 (9).

7.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.

8.Ren, Z.; Che, L.; Qiu, M.; Wang, X.; Dai, D.; Harich, S. A.; Wang, X.; Yang, X.; Xu, C.; Xie, D.; Sun, Z.; Zhang, D. H., Probing Feshbach resonances in F+H-2(j=1)-> HF+H: Dynamical effect of single quantum H-2-rotation. Journal of Chemical Physics 2006, 125 (15).

9.Wu, Y.; Xue, Y.; Xie, D. Q., Theoretical studies on the photodissociation mechanism of o-chlorotoluene. Acta Chimica Sinica 2006, 64 (2), 99-103.

10.Xu, D. G.; Xie, D. Q.; Guo, H., Catalytic mechanism of class B2 metallo-beta-lactamase. Journal of Biological Chemistry 2006, 281 (13), 8740-8747.

11.XueMing, Y.; DaiQian, X. I. E.; DongHui, Z., Feshbach resonances in the F ＋ H2 chemical reaction. Physics 2006, 35 (6), 443-446.

12.Zhang, L.; Xie, D.; Zeng, J., Electronic excitations of green fluorescent proteins: Modeling solvatochromatic shifts of chromophore model compounds in solutions. Journal of Theoretical & Computational Chemistry 2006, 5, 375-390.

13.Zhou, Y.; Ran, H.; Xie, D., A five-dimensional potential energy surface and predicted infrared spectra for the N2O-hydrogen complexes. Journal of Chemical Physics 2006, 125 (17).

14.Zhou, Y.; Xie, D. Q.; Zhang, D. H., A three-dimensional ab initio potential energy surface and predicted infrared spectra for the He-N2O complex. Journal of Chemical Physics 2006, 124 (14).