Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.
Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum...
| Main Authors: | , , , , , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Inst of Physics
2001
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| _version_ | 1826259851878072320 |
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| author | Aoiz, F Bañares, L Castillo, J Brouard, M Denzer, W Vallance, C Honvault, P Launay, J Dobbyn, A Knowles, P |
| author_facet | Aoiz, F Bañares, L Castillo, J Brouard, M Denzer, W Vallance, C Honvault, P Launay, J Dobbyn, A Knowles, P |
| author_sort | Aoiz, F |
| collection | OXFORD |
| description | Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the 1 1A" excited state participates in the reaction. |
| first_indexed | 2024-03-06T18:56:20Z |
| format | Journal article |
| id | oxford-uuid:11f6d195-05a7-44a5-9d18-d16f004ca0ea |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T18:56:20Z |
| publishDate | 2001 |
| publisher | American Inst of Physics |
| record_format | dspace |
| spelling | oxford-uuid:11f6d195-05a7-44a5-9d18-d16f004ca0ea2022-03-26T10:05:12ZInsertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:11f6d195-05a7-44a5-9d18-d16f004ca0eaEnglishSymplectic Elements at OxfordAmerican Inst of Physics2001Aoiz, FBañares, LCastillo, JBrouard, MDenzer, WVallance, CHonvault, PLaunay, JDobbyn, AKnowles, PRigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the 1 1A" excited state participates in the reaction. |
| spellingShingle | Aoiz, F Bañares, L Castillo, J Brouard, M Denzer, W Vallance, C Honvault, P Launay, J Dobbyn, A Knowles, P Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H. |
| title | Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H. |
| title_full | Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H. |
| title_fullStr | Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H. |
| title_full_unstemmed | Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H. |
| title_short | Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H. |
| title_sort | insertion and abstraction pathways in the reaction o 1d2 h2 gt oh h |
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