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MRCI study on spectroscopic and molecular properties of several low-lying electronic states of the CN radical

✍ Scribed by De-heng Shi; Wen-tao Li; Jin-feng Sun; Zun-lue Zhu


Book ID
113751948
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
230 KB
Volume
112
Category
Article
ISSN
0022-4073

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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