68. Zheming Ouyang, Changjian Xie*, “Reinterpreting the vibrational structure in the electronic spectrum of the propargyl cation (H2C3H+) using an efficient and accurate quantum model”, J. Chem. Phys. 154, 044308 (2021)
Release time:2022-03-25 Hits:
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Pre One:69. Yafu Guan*, Changjian Xie*, David R. Yarkony*, Hua Guo*, “High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics”, (Perspective) Phys. Chem. Chem. Phys. 23, 24962 (2021)
Next One:67. Changjian Xie*, Yafu Guan, David R. Yarkony, Hua Guo, “Vibrational energy levels of the S0 and S1 states of formaldehyde using an accurate ab initio based global diabatic potential energy matrix”, Mol. Phys. 119, e1918775 (2021)
