DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Kim, Sang Kyu | - |
dc.contributor.advisor | 김상규 | - |
dc.contributor.author | Kim, Junggil | - |
dc.date.accessioned | 2023-06-23T19:35:13Z | - |
dc.date.available | 2023-06-23T19:35:13Z | - |
dc.date.issued | 2023 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=1030619&flag=dissertation | en_US |
dc.identifier.uri | http://hdl.handle.net/10203/309366 | - |
dc.description | 학위논문(박사) - 한국과학기술원 : 화학과, 2023.2,[vi, 142 p. :] | - |
dc.description.abstract | Conical intersections on the reaction pathway are pivotal in determining the reaction rate, yield, and energy disposal of the products via nonadiabatic transition. We have discussed the nonadiabatic dynamics on the conical intersection, especially the photodissociation dynamics through nonadiabatic tunneling in the excited state of heteroaromatic molecules in terms of the topography of multi-dimensional potential energy surfaces. The dynamic role of the topography of potential energy surfaces in the tunneling reaction have been revealed, and this provides a deep understanding of structure-reactivity relationship and a new perspective on the reaction control. | - |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.subject | Nonadiabatic dynamics▼aConical intersection▼aTunneling reaction▼aStructure-reactivity▼aMulti-dimension | - |
dc.subject | 비단열 반응 동역학▼a원뿔형 교차점▼a터널링 반응▼a구조-반응성▼a다차원 | - |
dc.title | Nonadiabatic tunneling dynamics in the vicinity of the multi-dimensional conical intersection | - |
dc.title.alternative | 다차원 원뿔형 교차점 주변에서 일어나는 비단열 터널링 반응 동역학 | - |
dc.type | Thesis(Ph.D) | - |
dc.identifier.CNRN | 325007 | - |
dc.description.department | 한국과학기술원 :화학과, | - |
dc.contributor.alternativeauthor | 김정길 | - |
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