Electronic branching and bending potential at the FHH transition state.
| Autor: | Kolbuszewski, Marcin, Wright, James S. |
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| Zdroj: | Journal of Chemical Physics; 4/1/1992, Vol. 96 Issue 7, p5548, 2p, 2 Graphs |
| Abstrakt: | Shows that a feature of the correlation treatment is essential to achieving a proper description of the transition state region, within the framework of an MR-CI calculation which uses configuration selection. Correlation diagram for the linear approach of F and H[sub2]. |
| Databáze: | Complementary Index |
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