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Ab Initio Structure and Vibrational Frequencies of (CF3SO2)2N-Li+ Ion Pairs

✍ Scribed by Gejji, Shridhar P.; Suresh, C. H.; Babu, K.; Gadre, Shridhar R.


Book ID
111880298
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
136 KB
Volume
103
Category
Article
ISSN
1089-5639

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✍ Adrian T. Wong; George B. Bacskay πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 578 KB

Ab initio potential energy surfaces for N\*O, calculated with the CCSD (T) method using [4s, 3p, 2p, 1 f] and [ Ss, 4p, 2d, If] AN0 basis sets are reported. The predicted equilibrium geometry, force constants and harmonic frequencies are in gaod agreement with experiment. The calculated band origina