Broken orbital symmetry study of low-lying excited and N15 ionized states of pyrazine
✍ Scribed by Silvio Canuto; Osvaldo Goscinski; Michael Zerner
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 602 KB
- Volume
- 68
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
Complete-active-space SCF and multi-reference configuration interaction calculations employing large Gaussian basis sets of the general contraction type have been carried out to determine the equilibrium structures and relative stabilities of the ground electronic state R 'I& of the acetylene cation
## Abstract The ground state and the excited states of benzene, pyrimidine, and pyrazine have been examined by using the symmetry adapted cluster‐configuration interaction (SAC‐CI) method. Detailed characterizations and the structures of the absorption peaks in the vacuum ultraviolet (VUV), low ene