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Ab initio Study of the Structure and Vibration Spectrum ofN-Methyl-N-(trifluorosilylmethyl)acetamide

โœ Scribed by I. M. Lazarev; G. V. Ratovskii; E. I. Brodskaya; N. F. Lazareva


Book ID
111608476
Publisher
Springer
Year
2004
Tongue
English
Weight
106 KB
Volume
74
Category
Article
ISSN
1070-3632

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Ab initio study of the electronic struct
โœ A.B. Sannigrahi; S.D. Peyerimhoff ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 249 KB

The ground-state electronic structure. vertical excitation energies and associated oscillator strengths or lifetimes have been calculated for the S,N-ion by the ab mitio MRD CI method using a basis set of near Hartree-Fock quality. At the highest level oftheory (estimated full CI), S2N-1s predicted