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Dynamics of Rotational Energy Release for Dissociation of Singlet Ketene and the Singlet/Triplet Branching Ratio

✍ Scribed by Wade, Elisabeth A.; Clauberg, Horst; Kim, Sang Kyu; Mellinger, Axel; Moore, C. Bradley


Book ID
121331662
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
283 KB
Volume
101
Category
Article
ISSN
1089-5639

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An ab initio calculation of the rotation
✍ Per Jensen; P.R. bunker; A.D. McLean πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 370 KB

For the % 'B,, g 'A, and 6 ' B, electronic states of the NH,+ molecular ion we have calculated ab initio points on the potential energy surfaces using a complete second-order configuration interaction calculation for the six valence electrons. For the % and fi states the rotation-vibration energies