2023

1.     Chai, S.; Yang, D.; Zhou, Y.; Xie, D., Full quantum scattering calculations of the line-shape parameters for the P and R branches of HF perturbed by Ar. The Journal of Chemical Physics, 159, 164305 (2023).

2.     Chen, J.; Zhang, H.; Zhou, L.; Hu, X.; Xie, D., New accurate diabatic potential energy surfaces for the two lowest 1A′′ states of H₂S and photodissociation dynamics in its first absorption band. Physical Chemistry Chemical Physics, 25, 26032-26042 (2023).

3.     Chen, Q.; Hu, X.; Xie, D., Collaborative control of branching ratio in the O + HO₂ → OH + O₂ reaction via vibrational and rotational excitation. Journal of the Chinese Chemical Society, 70, 521-527 (2023).

4.     Han, S.; Xie, C.; Hu, X.; Yarkony, D. R.; Guo, H.; Xie, D., Quantum Dynamics of Photodissociation: Recent Advances and Challenges. The Journal of Physical Chemistry Letters, 14, 10517-10530 (2023).

5.     Liu, L.; Yang, D.; Guo, H.; Xie, D., Full-Dimensional Quantum Dynamics Studies of Ro-vibrationally Inelastic Scattering of H₂O with Ar: A Benchmark Test of the Rigid-Rotor Approximation. The Journal of Physical Chemistry A, 127, 195-202 (2023).

6.     Wang, J.; An, F.; Chen, J.; Hu, X.; Guo, H.; Xie, D., Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O₂ ↔ HO + O Reaction. Journal of Chemical Theory and Computation, 19, 2929-2938 (2023).

7.     Yang, D.; Chai, S.; Xie, D.; Guo, H., ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality. The Journal of Chemical Physics, 158, 054801 (2023).

8.     Yang, D.; Guo, H.; Xie, D., Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical Chemistry Chemical Physics, 25, 3577-3594 (2023).

9.     Zhao, Y.; Chen, J.; Luo, Z.; Chang, Y.; Yang, J.; Zhang, W.; Wu, G.; Crane, S. W.; Hansen, C. S.; Ding, H.; An, F.; Hu, X.; Xie, D.; Ashfold, M. N. R.; Yuan, K.; Yang, X., The vibronic state dependent predissociation of H₂S: determination of all fragmentation processes. Chemical Science, 14, 2501-2517 (2023).

10.    Zhou, B.; Zhou, Y.; Xie, D., Accelerated Quantum Mechanics/Molecular Mechanics Simulations via Neural Networks Incorporated with Mechanical Embedding Scheme. Journal of Chemical Theory and Computation, 19, 1157-1169 (2023).