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Prediction of magnesium tetraethynylporphyrin’s solubility by theoretical calculation
http://hdl.handle.net/2237/00031498
http://hdl.handle.net/2237/000314985d3d0e82-a44b-4548-b387-fa6d48cca4f3
名前 / ファイル | ライセンス | アクション |
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JPP_kog ym revised (494.3 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2020-02-12 | |||||
タイトル | ||||||
タイトル | Prediction of magnesium tetraethynylporphyrin’s solubility by theoretical calculation | |||||
言語 | en | |||||
著者 |
Ogumi, Keisuke
× Ogumi, Keisuke× Matsuo, Yutaka |
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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 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | Electronic version of an article published as [Journal of Porphyrins and Phthalocyanines. v.23, n.10, 2019, p.1144-1148] [http://doi.org/10.1142/S1088424619501475] © [copyright World Scientific Publishing Company] [https://www.worldscientific.com/worldscinet/jpp] | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | porphyrin | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | solubility | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | theoretical calculation | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | intermolecular interaction | |||||
抄録 | ||||||
内容記述 | To investigate the solubility of porphyrin derivatives, their intermolecular interaction energies were calculated by the counterpoise method at the B97D3/6-31G(d) level. It was found that the calculated intermolecular interaction energies corresponded to the solubility measured by UV-vis spectroscopy. This correlation was consistent with differences in substituents and in the metals in the porphyrin core. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
内容記述 | ||||||
内容記述 | ファイル公開:2020/11/1 | |||||
言語 | ja | |||||
内容記述タイプ | Other | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | World Scientific | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1142/S1088424619501475 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 1088-4246 | |||||
書誌情報 |
en : Journal of Porphyrins and Phthalocyanines 巻 23, 号 10, p. 1144-1148, 発行日 2019-11 |
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著者版フラグ | ||||||
値 | author |