{"title":"反应物振动激发对C + NO→CN + O反应立体动力学的影响","authors":"Q. Wei","doi":"10.4208/JAMS.021616.042116A","DOIUrl":null,"url":null,"abstract":"Stereodynamics of the title reaction at different reagent vibrational states (v=0-2) are obtained using the quasiclassical trajectory method at collision energy of 0.06 eV on an accurate 4A” potential energy surface. The vector properties including angular momentum P(θr) and P(φr) distributions as well as polarization-dependent differential cross sections (PDDCS) of the product CN are presented. Furthermore, the influence of vibrational excitation on the product vector properties has also been studied in present work. PACS: 34.35.+a, 34.50.-s","PeriodicalId":15131,"journal":{"name":"Journal of Atomic and Molecular Sciences","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2016-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Influence of reactant vibrational excitation on stereodynamics of C + NO → CN + O Reaction\",\"authors\":\"Q. Wei\",\"doi\":\"10.4208/JAMS.021616.042116A\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Stereodynamics of the title reaction at different reagent vibrational states (v=0-2) are obtained using the quasiclassical trajectory method at collision energy of 0.06 eV on an accurate 4A” potential energy surface. The vector properties including angular momentum P(θr) and P(φr) distributions as well as polarization-dependent differential cross sections (PDDCS) of the product CN are presented. Furthermore, the influence of vibrational excitation on the product vector properties has also been studied in present work. PACS: 34.35.+a, 34.50.-s\",\"PeriodicalId\":15131,\"journal\":{\"name\":\"Journal of Atomic and Molecular Sciences\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Atomic and Molecular Sciences\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.4208/JAMS.021616.042116A\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Atomic and Molecular Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4208/JAMS.021616.042116A","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Influence of reactant vibrational excitation on stereodynamics of C + NO → CN + O Reaction
Stereodynamics of the title reaction at different reagent vibrational states (v=0-2) are obtained using the quasiclassical trajectory method at collision energy of 0.06 eV on an accurate 4A” potential energy surface. The vector properties including angular momentum P(θr) and P(φr) distributions as well as polarization-dependent differential cross sections (PDDCS) of the product CN are presented. Furthermore, the influence of vibrational excitation on the product vector properties has also been studied in present work. PACS: 34.35.+a, 34.50.-s
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