Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail wit...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2017
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| _version_ | 1797071074164211712 |
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| author | Fu, B Shan, X Zhang, D Clary, D |
| author_facet | Fu, B Shan, X Zhang, D Clary, D |
| author_sort | Fu, B |
| collection | OXFORD |
| description | This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theories for calculating quantities such as rate constants which have many important scientific applications. |
| first_indexed | 2024-03-06T22:47:59Z |
| format | Journal article |
| id | oxford-uuid:5dd75c74-011d-4ba5-93e2-65c37d85e73a |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T22:47:59Z |
| publishDate | 2017 |
| publisher | Royal Society of Chemistry |
| record_format | dspace |
| spelling | oxford-uuid:5dd75c74-011d-4ba5-93e2-65c37d85e73a2022-03-26T17:36:55ZRecent advances in quantum scattering calculations on polyatomic bimolecular reactionsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:5dd75c74-011d-4ba5-93e2-65c37d85e73aEnglishSymplectic Elements at OxfordRoyal Society of Chemistry2017Fu, BShan, XZhang, DClary, DThis review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theories for calculating quantities such as rate constants which have many important scientific applications. |
| spellingShingle | Fu, B Shan, X Zhang, D Clary, D Recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
| title | Recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
| title_full | Recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
| title_fullStr | Recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
| title_full_unstemmed | Recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
| title_short | Recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
| title_sort | recent advances in quantum scattering calculations on polyatomic bimolecular reactions |
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