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Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A(′) potential energy surface
We present converged exact quantum wave packet calculations of reaction probabilities, integral cross sections, and thermal rate coefficients for the title reaction. Calculations have been carried out on the ground 1(2)A(′) global adiabatic potential energy surface of Deskevich et al. [J. Chem. Phys...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4108641/ https://ncbi.nlm.nih.gov/pubmed/22423835 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3692328 |
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