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Theoretical study of the simplest Xe-containing molecule: HXeH
https://sucra.repo.nii.ac.jp/records/12957
https://sucra.repo.nii.ac.jp/records/12957bb01f392-83bf-4f6d-9596-a36a2a4a1734
名前 / ファイル | ライセンス | アクション |
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A1002295.pdf (626.5 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2007-11-14 | |||||
タイトル | ||||||
タイトル | Theoretical study of the simplest Xe-containing molecule: HXeH | |||||
言語 | ||||||
言語 | eng | |||||
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 | journal article | |||||
著者 |
高柳, 敏幸
× 高柳, 敏幸 |
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著者 ローマ字 | ||||||
Takayanagi, Toshiyuki | ||||||
著者 ローマ字 | ||||||
Asakura, Tomoko | ||||||
著者 ローマ字 | ||||||
Takahashi, Kenta | ||||||
著者 ローマ字 | ||||||
Taketsugu, Yuriko | ||||||
著者 ローマ字 | ||||||
Taketsugu, Tetsuya | ||||||
著者 ローマ字 | ||||||
Noro, Takeshi | ||||||
著者 所属 | ||||||
埼玉大学大学院理工学研究科物質科学部門 | ||||||
著者 所属(別言語) | ||||||
Graduate School of Science and Engineering, Saitama University | ||||||
書誌情報 |
CHEMICAL PHYSICS LETTERS 巻 446, 号 1-3, p. 14-19, 発行日 2007 |
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年月次 | ||||||
2007-9 | ||||||
出版者名 | ||||||
出版者 | ELSEVIER SCIENCE BV | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 00092614 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1016/j.cplett.2007.08.036 | |||||
関連サイト | ||||||
内容記述タイプ | Other | |||||
内容記述 | http://www.sciencedirect.com/science/journal/00092614 | http://www.sciencedirect.com/science/journal/00092614 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The simplest metastable Xe-containing compound HXeH has been theoretically investigated using highly-accurate CASPT2-level electronic structure calculations taking the relativistic effects into account. A new three-dimensional global potential energy surface has been developed and time-dependent wave packet quantum dynamics calculations were then performed to obtain vibrational energy levels of the metastable states for the HXeH, HXeD and DXeD systems. It has been found that low-lying vibrational states below and just above the H + Xe + H dissociation limit have extremely long lifetimes in a nanosecond time scale. The present theoretical results suggest that these rare-gas containing molecules can experimentally be detected in the gas phase. (C) 2007 Elsevier B.V. All rights reserved. | |||||
版 | ||||||
[著者版] | ||||||
著者版フラグ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
資源タイプ | ||||||
内容記述タイプ | Other | |||||
内容記述 | text | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
作成日 | ||||||
日付 | 2007-11-14 | |||||
日付タイプ | Created | |||||
アイテムID | ||||||
A1002295 |