State-to-state reaction probabilities within the quantum transition state framework
✍ Scribed by Welsch, Ralph; Huarte-Larrañaga, Fermín; Manthe, Uwe
- Book ID
- 115482588
- Publisher
- American Institute of Physics
- Year
- 2012
- Tongue
- English
- Weight
- 653 KB
- Volume
- 136
- Category
- Article
- ISSN
- 0021-9606
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📜 SIMILAR VOLUMES
Using ab initio calculated potential energy and electric dipole moment functions, absolute radiative transition probabilities between the rovibronic Renner-Teller states of the electronic ground state X 2 P g of CO þ 2 have been evaluated. The rovibronic eigenstates were obtained (up to 6500 cm À1
A method for the economical evaluation of reasonable approximations CO the probability of reaction. from specified internal siates of rext2nts is proposed for elementary exchange reactions. It requires the iolutior~ of the ctose couptin~ equations in the reactant chnnnel only 2nd the imposition of b