Electronic structures of the S2O and S3 isomers: an ab initio CI study

Theoretica Chimica Acta

Volumn 73, Issue 2-3, 1988, Pages 123-134

  Fueno, Takayuki ^a   Buenker, Robert J ^b  

^a OSAKA UNIVERSITY   (Japan)

^b UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

CI calculations; Disulfur oxide (S2O); Ring closure; Thiozone (S3); Vertical excitation

Indexed keywords

EID: 0000704563     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF00528199     Document Type: Article

References (24)

1. Multibody analysis of potential energy surfaces for first- and second-row tetramers. II. The cases of O4 and S4
2. Molecular and electronic structure of ozone and thiozone from LCAO local density calculations
3. Low-lying states of thiozone, S3
4. Implementation of the table CI method: Matrix elements between configurations with the same number of open-shells
5. Configuration interaction calculations on the nitrogen molecule
6. Combining perturbation theory techniques with variational CI calculations to study molecular excited states
7. Theoretical studies of the ozone molecule. I. Ab initio MCSCF/CI potential energy surfaces for the X 1A1 and a 2B2 states
8. Photoionization mass spectrometry and heat of formation of S2O