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Relativistic calclation of nuclear magnetic shielding tensor including two-lectron spin-orbit interaction interactions
https://kitami-it.repo.nii.ac.jp/records/7239
https://kitami-it.repo.nii.ac.jp/records/7239db86b2ab-400c-43ee-b1de-ea0d1d0f49da
名前 / ファイル | ライセンス | アクション |
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JChemPhys_125_164106.pdf (83.4 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2008-01-26 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Relativistic calclation of nuclear magnetic shielding tensor including two-lectron spin-orbit interaction interactions | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
著者 |
Ootani, Y
× Ootani, Y× Yamaguti, H× Maeda, H× Fukui, H |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | A relativistic calculation of nuclear magnetic shielding tensor including two-electron spin-orbit interactions is performed. In order to reduce the computational load in evaluating the two-electron relativistic integrals, the charge density is approximated by a linear combination of the squares of s-type spatial basis functions. Including the two-electron spin-orbit interaction effect is found to improve the calculation results. c 2006 American Institute of Physics. | |||||
書誌情報 |
The Journal of Chemical Physics 巻 125, p. 164106-1-164106-4, 発行日 2006-10-27 |
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DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | http://doi.org/10.1063/1.2361292 | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
出版者 | ||||||
出版者 | American Institute of Physics | |||||
著者版フラグ | ||||||
値 | author | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa |