A casscf/csapt2 study on the reaction pathways from hoss to hsso radicals

HIGHLIGHTS

• who: Zhang Haifeng et al. from the College of Science, Jiamusi University, Jiamusi, China have published the paper: A CASSCF/CSAPT2 Study on the Reaction Pathways From HOSS to HSSO Radicals, in the Journal: (JOURNAL)
• what: In the aug-cc-pV(n+d)Z basis sets, we gave out a combined CASSCF and CASPT2 study of the low-lying electronic states of the HOSS and HSSO radicals in C1 symmetry for the first time.
• how: The authors used the CASSCF/CASPT2 method to study the low-lying electronic states of the HOSS and . . .
  

   

  

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