The transition state of the f + h2 reaction.
The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that...
| Main Authors: | , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1993
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| _version_ | 1797087683529408512 |
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| author | Manolopoulos, D Stark, K Werner, H Arnold, D Bradforth, SE Neumark, D |
| author_facet | Manolopoulos, D Stark, K Werner, H Arnold, D Bradforth, SE Neumark, D |
| author_sort | Manolopoulos, D |
| collection | OXFORD |
| description | The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that use an accurate new ab initio potential energy surface for F + H(2). The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively. |
| first_indexed | 2024-03-07T02:39:10Z |
| format | Journal article |
| id | oxford-uuid:a9da56b9-44b1-4e85-960f-9853b0e72c8e |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T02:39:10Z |
| publishDate | 1993 |
| record_format | dspace |
| spelling | oxford-uuid:a9da56b9-44b1-4e85-960f-9853b0e72c8e2022-03-27T03:11:05ZThe transition state of the f + h2 reaction.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:a9da56b9-44b1-4e85-960f-9853b0e72c8eEnglishSymplectic Elements at Oxford1993Manolopoulos, DStark, KWerner, HArnold, DBradforth, SENeumark, DThe transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that use an accurate new ab initio potential energy surface for F + H(2). The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively. |
| spellingShingle | Manolopoulos, D Stark, K Werner, H Arnold, D Bradforth, SE Neumark, D The transition state of the f + h2 reaction. |
| title | The transition state of the f + h2 reaction. |
| title_full | The transition state of the f + h2 reaction. |
| title_fullStr | The transition state of the f + h2 reaction. |
| title_full_unstemmed | The transition state of the f + h2 reaction. |
| title_short | The transition state of the f + h2 reaction. |
| title_sort | transition state of the f h2 reaction |
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