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J-GLOBAL ID：201802215680058304   Reference number：18A1591711

Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water

水中におけるSCN誘導振動プローブ分子の振動周波数ゆらぎに関する理論的研究【JST・京大機械翻訳】

Author (8)： Okuda Masaki (Molecular Photoscience Research Center, Kobe University, Rokkodai-cho 1-1, Nada, Kobe 657-8501, Japan) ,  Higashi Masahiro (Department of Chemistry, Biology and Marine Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213, Japan) ,  Ohta Kaoru (Molecular Photoscience Research Center, Kobe University, Rokkodai-cho 1-1, Nada, Kobe 657-8501, Japan) ,  Ohta Kaoru (Graduate School of Science, Kobe University, Rokkodai-cho 1-1, Nada, Kobe 657-8501, Japan) ,  Saito Shinji (Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444-8585, Japan) ,  Saito Shinji (The Graduate University for Advanced Studies, Myodaiji, Okazaki, Aichi 444-8585, Japan) ,  Tominaga Keisuke (Molecular Photoscience Research Center, Kobe University, Rokkodai-cho 1-1, Nada, Kobe 657-8501, Japan) ,  Tominaga Keisuke (Graduate School of Science, Kobe University, Rokkodai-cho 1-1, Nada, Kobe 657-8501, Japan)
Material： Chemical Physics  (Chem Phys)
Volume： 512  Page： 82-87  Publication year： 2018 
JST Material Number： D0167B  ISSN： 0301-0104  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： In this study, we theoreticall...

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Thesaurus term： water molecule ,  *probe ,  electrostatic interaction ,  hydrodynamics ,  thiocyanate ,  *frequency (Hz) ,  characterization ,  *frequency ,  Computer Simulation ,  time constant ,  *fluctuation ,  Molecular Dynamics Simulation ,  computer application ,  utilization
Semi thesaurus term： 水和構造 ,  時間相関関数 , 【Automatic Indexing@JST】

JST classification (4)： Molecular compounds  (CE02000C) ,  Atomic and molecular clusters  (BH09030O) ,  Properties of molecules in general  (BH05031D) ,  Infrared and Raman spectra of organic molecules  (BH06033S)

Terms in the title (9)： 水中 ,  ScN ,  誘導 ,  プローブ ,  分子 ,  振動周波数 ,  ゆらぎ ,  理論 ,  研究