DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Baik, Mu-Hyun | - |
dc.contributor.advisor | 백무현 | - |
dc.contributor.author | Oh, Changjin | - |
dc.date.accessioned | 2023-06-23T19:35:16Z | - |
dc.date.available | 2023-06-23T19:35:16Z | - |
dc.date.issued | 2023 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=1030623&flag=dissertation | en_US |
dc.identifier.uri | http://hdl.handle.net/10203/309376 | - |
dc.description | 학위논문(박사) - 한국과학기술원 : 화학과, 2023.2,[v, 86 p. :] | - |
dc.description.abstract | Understanding unprecedented reaction mechanisms and predicting catalytic pathways are touted as the virtues of computational chemistry in catalysis. Studies herein reported concentrate on analyzing the mechanism of new types of reactions based on electronic structure derived with DFT. This dissertation is mainly about a coinage field, manganese catalysis, and activation of N-heteroarene that is a building block for pharmaceutical compounds. The reactivity of manganese in mediating invaluable reactions such as C–H activation and CO2 conversion was recently reported, conferring a noble worth to mechanistic studies on manganese catalysis. | - |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.subject | Computational chemistry▼aHomogeneous catalysis▼aManganese▼aMechanism | - |
dc.subject | 계산화학▼a균일 촉매▼a망간▼a반응기작 | - |
dc.title | Insights derived from electronic structures for mechanistic studies on new types of reactions | - |
dc.title.alternative | 전례 없는 반응의 메커니즘에 대한 전자 구조 기반의 해석 | - |
dc.type | Thesis(Ph.D) | - |
dc.identifier.CNRN | 325007 | - |
dc.description.department | 한국과학기술원 :화학과, | - |
dc.contributor.alternativeauthor | 오창진 | - |
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