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Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory
http://hdl.handle.net/2241/0002007373
http://hdl.handle.net/2241/00020073733c40fdfb-4b1a-4082-b8e0-8fc3f524e1ce
| 名前 / ファイル | ライセンス | アクション |
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Chirality_23573.pdf (630 KB)
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| Item type | アイテムタイプJ(1) | |||||||||||||||
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| 公開日 | 2023-06-26 | |||||||||||||||
| タイトル | ||||||||||||||||
| タイトル | Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory | |||||||||||||||
| 言語 | ||||||||||||||||
| 言語 | eng | |||||||||||||||
| 資源タイプ | ||||||||||||||||
| 資源タイプ | journal article | |||||||||||||||
| 著者 |
Watanabe Natsuki
× Watanabe Natsuki
× Hori Yuta
0000004283
× Shoji Mitsuo
0000000530
× Boero Mauro
× Shigeta Yasuteru
0000000539
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| 著者情報 | ||||||||||||||||
| 所属・氏名 | 計算科学研究センター; 堀, 優太; ホリ, ユウタ; HORI, Yuta | |||||||||||||||
| 研究者総覧URL | http://trios.tsukuba.ac.jp/researcher/0000004283 | |||||||||||||||
| 著者情報 | ||||||||||||||||
| 所属・氏名 | 計算科学研究センター; 庄司, 光男; ショウジ, ミツオ; SHOJI, Mitsuo | |||||||||||||||
| 研究者総覧URL | http://trios.tsukuba.ac.jp/researcher/0000000530 | |||||||||||||||
| 著者情報 | ||||||||||||||||
| 所属・氏名 | 筑波大学; 重田, 育照; シゲタ, ヤステル; SHIGETA, Yasuteru | |||||||||||||||
| 研究者総覧URL | http://trios.tsukuba.ac.jp/researcher/0000000539 | |||||||||||||||
| 書誌情報 |
en : Chirality 巻 Early View, p. 1-7, 発行日 2023-04-30 |
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| PISSN | ||||||||||||||||
| 収録物識別子 | 1520-636X | |||||||||||||||
| アクセス権 | ||||||||||||||||
| アクセス権 | open access | |||||||||||||||
| 権利情報 | ||||||||||||||||
| 権利情報 | (c) 2023 Wiley Periodicals LLC. | |||||||||||||||
| 権利情報 | ||||||||||||||||
| 権利情報 | This is the peer reviewed version of the following article: https://onlinelibrary.wiley.com/doi/10.1002/chir.23573, which has been published in final form at https://doi.org/10.1002/chir.23573. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited. | |||||||||||||||
| 出版者 | ||||||||||||||||
| 出版者 | Wiley | |||||||||||||||
| 出版タイプ | ||||||||||||||||
| 出版タイプ | AM | |||||||||||||||
| DOI | ||||||||||||||||
| 関連タイプ | isVersionOf | |||||||||||||||
| 関連識別子 | 10.1002/chir.23573 | |||||||||||||||
| PMID | ||||||||||||||||
| 関連識別子 | 37122074 | |||||||||||||||
| 注記 | ||||||||||||||||
| 内容記述 | This work was partly supported by the JSPS Grants-in-Aid for Scientific Research (JP20H05453, JP20H05088, JP21H05419, and JP22H04916), MEXT Grants-in-Aid for Scientific Research on Innovative Areas (JP21H05419), JST PRESTO grant number JPMJPR19G6, and a research grant from The Mazda Foundation. Some computations were performed using computer facilities at the Research Institute for Information Technology, Kyushu University; the Research Center for Computational Science, Okazaki, Japan (Project:22-IMS-C122); and the Multidisciplinary Cooperative Research Program in CCS, University of Tsukuba. M.B. thanks the HPC Center at the University of Strasbourg funded by the Equipex Equip@Meso project, the CPER Alsacalcul/Big Data, and the Grand Equipement National de Calcul Intensif (GENCI) under allocation DARI-A0120906092 and A0140906092. We acknowledge Editage (www.editage.com) for English language editing. | |||||||||||||||
