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An ab Initio Study of the Low-Lying Doublet States of Linear and T-Shaped Ga·N 2

✍ Scribed by Lee, Edmond P. F.; Dyke, John M.


Book ID
127196070
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
62 KB
Volume
104
Category
Article
ISSN
1089-5639

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Ab initio study of low-lying electronic
✍ Z.-L. Cai 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 415 KB 👁 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