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An ab initio study of the low-lying electronic states of S[sub 3]

✍ Scribed by Peterson, Kirk A.; Lyons, James R.; Francisco, Joseph S.


Book ID
111878989
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
410 KB
Volume
125
Category
Article
ISSN
0021-9606

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Ab initio study of low-lying electronic
✍ Z.-L. Cai πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 415 KB πŸ‘ 1 views

The equilibrium geometries, excitation energies, force constants, and vibrational frequencies of the low-lying electronic states X2B1, 2A1, 2B2, and 2A2 of the PF2 radical have been calculated at the MRSDCI level with a double zeta plus polarization basis set. Our calculated geometry, force constant