Excited spectroscopy and O2-loss dissociations in low-lying electronic states of CH3O2 studied using multiconfiguration second-order perturbation theory

Acta Chimica Sinica

Volumn 65, Issue 18, 2007, Pages 1947-1950

  Hou, Chun Yuan ^a   Zheng, Qing Chuan ^a   Shu, Xin ^a   Zhang, Hong Xing ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

CH3O2; Complete active space self consistent field (CASSCF); Multiconfiguration second order perturbation theory (CASPT2); Potential energy curve

Indexed keywords

EID: 70749101940     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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