Art

J-GLOBAL ID：201902256318957624   Reference number：19A0974011

Theoretical study of aerobic oxidation of alcohols over Au₃₈ nanocluster by a two-step-modeling approach

二段階モデリング法によるAu_38ナノクラスタ上でのアルコールの好気性酸化の理論的研究【JST・京大機械翻訳】

Author (7)： Ato Yoshinori (Department of Chemistry, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan) ,  Hayashi Akihide (Department of Chemistry, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan) ,  Koga Hiroaki (Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto 615-8245, Japan) ,  Kawakami Takashi (Department of Chemistry, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan) ,  Yamanaka Shusuke (Department of Chemistry, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan) ,  Okumura Mitsutaka (Department of Chemistry, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan) ,  Okumura Mitsutaka (Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto 615-8245, Japan)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 724  Page： 115-121  Publication year： 2019 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： Au nanoclusters, stabilized by...

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Thesaurus term： catalyst ,  *aerobic ,  *oxidation ,  *modeling ,  point charge ,  substrate(biochemistry) ,  reaction path ,  active oxygen ,  *nanocluster ,  *alcohol ,  electron affinity ,  optimization ,  electron density

JST classification (3)： Nobel metal catalysts  (CB06122I) ,  Electronic structure of molecules  (BH05010Q) ,  Atomic and molecular clusters  (BH09030O)

Terms in the title (8)： 段階 ,  モデリング ,  クラスタ ,  アルコール ,  好気性 ,  酸化 ,  理論 ,  研究