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An ab initio study on the ground and low-lying doublet electronic states of linear C2As

✍ Scribed by Ljiljana Stojanović; Stanka Jerosimić; Miljenko Perić


Book ID
108089248
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
300 KB
Volume
379
Category
Article
ISSN
0301-0104

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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