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AB initio calculations of CH3OH vibrational force constants

✍ Scribed by E. Taillandier; D.J. David


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
289 KB
Volume
4
Category
Article
ISSN
0301-0104

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FO+ and FO ab initio vibrational constan
✍ Russell D. Johnson III πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 245 KB

The potential energy surfaces for both FO neutral and cation were calculated at CCSD(T)/cc-pVTZ (sixty basis functions). From these surfaces the vibrational levels were obtained using the Fourier grid Hamiltonian method. The spectroscopic constants obtained are: FO tOe= 1072 cm -t and tOeXe = 12 cm