DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Lee, Yoon-Sup | - |
dc.contributor.advisor | 이윤섭 | - |
dc.contributor.author | Yoo, Jeong-Geun | - |
dc.contributor.author | 유정근 | - |
dc.date.accessioned | 2011-12-13T04:58:54Z | - |
dc.date.available | 2011-12-13T04:58:54Z | - |
dc.date.issued | 1991 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=67631&flag=dissertation | - |
dc.identifier.uri | http://hdl.handle.net/10203/32601 | - |
dc.description | 학위논문(석사) - 한국과학기술원 : 화학과, 1991.2, [ [iv], 38 p. ] | - |
dc.description.abstract | The understanding of chemical reaction dynamic is one of the ultimate goals of chemistry. For many-body sysytem, there are so many problems in calculating with \textit{ab initio} method. so it is efficient to use a semiempirical potential energy function. For the study of $C_2H_5F$ system, A semiempirical functional form of the potential energy surface is used for the reaction channel for $C_2H_5F-->C_2H_4+HF$. The potential form contains Morse-type function for the stretching potential and switching function for the change of C-C bond character and attenuation functions for making a new bond of H-f along the formation of the fragment. The potential energy parameters used in the switching function and attenuation functions are fitted to the transition state of \textit{ab initio}calculations. | eng |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.title | (A) semiempirical potential-energy function for the reaction of $C_2H_5F$ --> $C_2H_4$+HF | - |
dc.title.alternative | $C_2H_5F$ --> $C_2H_4$+HF 반응에 관한 반실험적 포텐셜 에너지 함수 | - |
dc.type | Thesis(Master) | - |
dc.identifier.CNRN | 67631/325007 | - |
dc.description.department | 한국과학기술원 : 화학과, | - |
dc.identifier.uid | 000891304 | - |
dc.contributor.localauthor | Lee, Yoon-Sup | - |
dc.contributor.localauthor | 이윤섭 | - |
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