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反応速度定数の量子論的定式化 : Wigner表示
https://kokushikan.repo.nii.ac.jp/records/15624
https://kokushikan.repo.nii.ac.jp/records/15624515ad53f-2850-4e2a-ae78-25acc43d932d
名前 / ファイル | ライセンス | アクション |
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本文 (1.3 MB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2022-10-29 | |||||
タイトル | ||||||
言語 | ja | |||||
タイトル | 反応速度定数の量子論的定式化 : Wigner表示 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | A quantum mechanical formulation of reaction rate constants : Wigner representation | |||||
言語 | ||||||
言語 | jpn | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | departmental bulletin paper | |||||
見出し | ||||||
大見出し | 論文 | |||||
言語 | ja | |||||
見出し | ||||||
大見出し | Original Papers | |||||
言語 | en | |||||
著者 |
梅崎, 馨章
× 梅崎, 馨章× 小田井, 圭 |
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著者ID | ||||||
内容記述タイプ | Other | |||||
著者ID | ||||||
内容記述タイプ | Other | |||||
内容記述 | J-GLOBAL ID : 200901085417108282 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The reaction rate constant is defined as the rate at which a reactant annihilates or a product creates in a chemical reaction. The Hamiltonian of the reaction system describing elementary reactions has already been formulated by Miller et al(J. Chem. Phys. 1980, 72, 99-112) In addition, the reaction coordinates representing the progress of the reaction are also formulated by Fukui.(J. Phys. Chem. 1970, 74, 4161-4163) In the present paper, on the basis of these two theories, we first formulated the reaction rate constants of elementary reactions using classical statistical mechanics. Then we rewrited the rate constans quantum-mechanically according to the method of Wigner representations. By this rewriting, a correction term representing the quantum effect of the reaction rate constant was naturally derived. | |||||
書誌情報 |
国士舘大学理工学部紀要 en : TRANSACTIONS OF THE KOKUSHIKAN UNIVERSITY SCHOOL OF SCIENCE AND ENGINEERING 巻 15, p. 9-21, 発行日 2022-03-31 |
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出版者 | ||||||
出版者 | 国士舘大学理工学部 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 1882-4013 | |||||
NCID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA12316266 | |||||
論文ID(CRID) | ||||||
内容記述タイプ | Other | |||||
内容記述 | 1520574190701913856 | |||||
NDC | ||||||
主題Scheme | NDC | |||||
主題 | 431.3 | |||||
NDC | ||||||
主題Scheme | NDC | |||||
主題 | 431.34 | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
キーワード | ||||||
主題 | reaction coordinates, reaction rate constants, Wigner representation |