A test of the Babamov-Marcus vibrationally adiabatic theory of hydrogen atom transfer reactions
โ Scribed by Hipes, Paul G.; Kuppermann, Aron
- Book ID
- 121084467
- Publisher
- American Chemical Society
- Year
- 1986
- Tongue
- English
- Weight
- 619 KB
- Volume
- 90
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Analytical formulae for the threshold region of the reaction probability curve for a nearly degenerate H-atom transfer XC @en and shown to yield good agreement with e.\act results for a t\\o-state model system. Application to H and H+ transfer in complcl systems is discussed. \* Contribution No. 688
A dynamical theory for the rate constant k of hydrogen atom and proton transfer reactions in solution is presented for the nonadiabatic limit, where reaction is dominated by tunneling. Coupling and splitting fluctuation effects arising from intramolecular vibrational and solvent fluctuations are inc