Resonances in the O(P-3) plus HCl reaction due to van der Waals minima
The quantum calculations of the cumulative reaction probability (CRP) for the O(3P) + HCl→OH + Cl reaction were presented for a large range of total angular momentum. It was found that the potential energy surface (PES) contained Vander Waals minima in both the entrance and exit channel, which were...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
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2002
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| _version_ | 1826286934668869632 |
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| author | Xie, T Wang, D Bowman, J Manolopoulos, D |
| author_facet | Xie, T Wang, D Bowman, J Manolopoulos, D |
| author_sort | Xie, T |
| collection | OXFORD |
| description | The quantum calculations of the cumulative reaction probability (CRP) for the O(3P) + HCl→OH + Cl reaction were presented for a large range of total angular momentum. It was found that the potential energy surface (PES) contained Vander Waals minima in both the entrance and exit channel, which were responsible for a number of resonances in the CRP in the tunneling region. The shift of the CRP with total angular momentum was also discussed. |
| first_indexed | 2024-03-07T01:51:06Z |
| format | Journal article |
| id | oxford-uuid:9a1cef30-eff0-4b97-9670-54655dd57187 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T01:51:06Z |
| publishDate | 2002 |
| record_format | dspace |
| spelling | oxford-uuid:9a1cef30-eff0-4b97-9670-54655dd571872022-03-27T00:19:08ZResonances in the O(P-3) plus HCl reaction due to van der Waals minimaJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:9a1cef30-eff0-4b97-9670-54655dd57187EnglishSymplectic Elements at Oxford2002Xie, TWang, DBowman, JManolopoulos, DThe quantum calculations of the cumulative reaction probability (CRP) for the O(3P) + HCl→OH + Cl reaction were presented for a large range of total angular momentum. It was found that the potential energy surface (PES) contained Vander Waals minima in both the entrance and exit channel, which were responsible for a number of resonances in the CRP in the tunneling region. The shift of the CRP with total angular momentum was also discussed. |
| spellingShingle | Xie, T Wang, D Bowman, J Manolopoulos, D Resonances in the O(P-3) plus HCl reaction due to van der Waals minima |
| title | Resonances in the O(P-3) plus HCl reaction due to van der Waals minima |
| title_full | Resonances in the O(P-3) plus HCl reaction due to van der Waals minima |
| title_fullStr | Resonances in the O(P-3) plus HCl reaction due to van der Waals minima |
| title_full_unstemmed | Resonances in the O(P-3) plus HCl reaction due to van der Waals minima |
| title_short | Resonances in the O(P-3) plus HCl reaction due to van der Waals minima |
| title_sort | resonances in the o p 3 plus hcl reaction due to van der waals minima |
| work_keys_str_mv | AT xiet resonancesintheop3plushclreactionduetovanderwaalsminima AT wangd resonancesintheop3plushclreactionduetovanderwaalsminima AT bowmanj resonancesintheop3plushclreactionduetovanderwaalsminima AT manolopoulosd resonancesintheop3plushclreactionduetovanderwaalsminima |