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)
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Pre One: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)
Next One:66. Yafu Guan*, Changjian Xie*, Hua Guo*, David R. Yarkony*, “Enabling a Unified Description of Both Internal Conversion and Intersystem Crossing in Formaldehyde: A Global Coupled Quasi-Diabatic Hamiltonian for Its S0, S1, and T1 States”, J. Chem. Theory Comput. 17, 4157 (2021)
