2021
1. An, F.; Hu, X.; Xie, D., Research Advances on Nonadiabatic Energy Transfer Dynamics for Triatomic Molecules. Chemical Journal of Chinese Universities-Chinese, 2020, 42, 2103-2110 (2021).
2. Chang, Y.; An, F.; Chen, Z.; Luo, Z.; Zhao, Y.; Hu, X.; Yang, J.; Zhang, W.; Wu, G.; Xie, D.; Yuan, K.; Yang, X., Vibrationally excited molecular hydrogen production from the water photochemistry. Nature Communications, 12, 6303 (2021).
3. Chang, Y.; Yu, Y.; An, F.; Luo, Z.; Quan, D.; Zhang, X.; Hu, X.; Li, Q.; Yang, J.; Chen, Z.; Che, L.; Zhang, W.; Wu, G.; Xie, D.; Ashfold, M. N. R.; Yuan, K.; Yang, X., Three body photodissociation of the water molecule and its implications for prebiotic oxygen production. Nature Communications, 12, 2476 (2021).
4. Chen, Q.; Hu, X.; Guo, H.; Xie, D., Insights into the Formation of Hydroxyl Radicals with Nonthermal Vibrational Excitation in the Meinel Airglow. The Journal of Physical Chemistry Letters, 12, 1822-1828 (2021).
5. Chen, Q.; Hu, X.; Guo, H.; Xie, D., Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties. Physical Chemistry Chemical Physics, 23, 3300-3310 (2021).
6. Chen, Y.; Wei, W.; Zhou, Y.; Xie, D., The role of hydrogen bond in catalytic triad of serine proteases. Chinese Journal of Chemical Physics, 34, 797-804 (2021).
7. Han, S.; Sun, G.; Zheng, X.; Song, Y.; Dawes, R.; Xie, D.; Zhang, J.; Guo, H., Rotational Modulation of Ã2A″-State Photodissociation of HCO via Renner–Teller Nonadiabatic Transitions. The Journal of Physical Chemistry Letters, 12, 6582-6588 (2021).
8. Huang, J.; Yang, D.; Zuo, J.; Hu, X.; Xie, D.; Guo, H., Full-Dimensional Global Potential Energy Surface for the KRb + KRb → K2Rb2* → K2 + Rb2 Reaction with Accurate Long-Range Interactions and Quantum Statistical Calculation of the Product State Distribution under Ultracold Conditions. The Journal of Physical Chemistry A, 125, 6198-6206 (2021).
9. Li, H.; Li, H.; Wang, X.; Nie, Y.; Liu, C.; Dai, Y.; Ling, J.; Ding, M.; Ling, X.; Xie, D.; Lu, N.; Wan, C.; Xiong, Q.; Xu, W., Spontaneous Polarity Flipping in a 2D Heterobilayer Induced by Fluctuating Interfacial Carrier Flows. Nano Letters, 21, 6773-6780 (2021).
10. Liu, Q.; Liu, L.; An, F.; Huang, J.; Zhou, Y.; Xie, D., A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF. The Journal of Chemical Physics, 155, 084302 (2021).
11. Liu, Q.; Yang, D.; Xie, D., Quantum Dynamics of Rotational Energy Transfer Processes for N2–HF and N2–DF Systems. The Journal of Physical Chemistry A, 125, 349-355 (2021).
12. Liu, Y.; Hu, M.-G.; Nichols, M. A.; Yang, D.; Xie, D.; Guo, H.; Ni, K.-K., Precision test of statistical dynamics with state-to-state ultracold chemistry. Nature, 593, 379-384 (2021).
13. Luo, Z.; Zhao, Y.; Chen, Z.; Chang, Y.; Zhang, S.-e.; Wu, Y.; Yang, J.; Cheng, Y.; Che, L.; Wu, G.; Xie, D.; Yang, X.; Yuan, K., Strong isotope effect in the VUV photodissociation of HOD: A possible origin of D/H isotope heterogeneity in the solar nebula. Science Advances, 7, eabg7775 (2021).
14. Wang, F.; Xie, W.; Yang, L.; Xie, D.; Lin, S., Revealing the importance of kinetics in N-coordinated dual-metal sites catalyzed oxygen reduction reaction. Journal of Catalysis, 396, 215-223 (2021).
15. Yang, D.; Xie, D.; Guo, H., A Time-Independent Quantum Approach to Ro-vibrationally Inelastic Scattering between Atoms and Triatomic Molecules. The Journal of Physical Chemistry A, 125, 6864-6871 (2021).
16. Zhao, H.; Xie, D.; Sun, Z., Interaction-Asymptotic Region Decomposition Method for an Insertion Reaction: Application to the S(1D) + H2 Reaction. The Journal of Physical Chemistry A, 125, 2007-2018 (2021).
17. Zhao, H.; Xie, D.; Sun, Z., Interaction-Asymptotic Region Decomposition Method for a Triatomic Reactive Scattering with Symmetry Adoption. The Journal of Physical Chemistry A, 125, 2460-2471 (2021).
18. Zhou, B.; Yang, D.; Xie, D., Quantum dynamics of the energy transfer for vibrationally excited HF (v = 7) colliding with D2 (v = 0): Theory assessing experiment. The Journal of Chemical Physics, 154, 114303 (2021).