摘要
The curvature correction factor A is introduced into the tunneling probability expression derived by W. H. Miller. Then the modification for the microcanonical unimolecular rate constant formula is obtained. The application of the formula to the unimolecular hydrogen transfer reaction of chemical equations presented indicates that the rate constants have a significant enhancement in the tunneling region when the factor A is involved, but the selection of rotation states has little effect on the reaction rate.
| 源语言 | 英语 |
|---|---|
| 页（从-至） | x27-1107 |
| 期刊 | Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities |
| 卷 | 17 |
| 期 | 7 |
| 出版状态 | 已出版 - 1996 |
| 已对外发布 | 是 |
指纹
探究 'A theoretical study on the microcanonical rate constants of unimolecular reactions - Calculation of rate constants regarding to the effect of curvature and the selection of rotation states' 的科研主题。它们共同构成独一无二的指纹。引用此
Li, Z. H., Wang, V., Zhang, S. W., Feng, W. L., & Liu, R. Z. (1996). A theoretical study on the microcanonical rate constants of unimolecular reactions - Calculation of rate constants regarding to the effect of curvature and the selection of rotation states. Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities, 17(7), x27-1107.