ホーム > 八木 清/ YAGI, Kiyoshi
八木 清
YAGI, Kiyoshi
数理物質系化学域 , 教授 Department of Chemistry, Institute of Pure Science , Professor
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21.
Fundamental peak disappears upon binding of a noble gas: A case of the vibrational spectrum of PtCO in an argon matrix
Yuriko Ono; Kiyoshi Yagi; Toshiyuki Takayanagi; Tetsuya Taketsugu
Physical Chemistry Chemical Physics 20: 3296 (2018)
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22.
Ab Initio Ice, Dry Ice, and Liquid Water
Hirata, S.; Gilliard, K.; He, X.; Ke?eli, M. (+3 著者) Yagi, K.
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems 1: 245 (2017)
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23.
Dynamics of nitric oxide controlled by protein complex in bacterial system
Erina Terasaka; Kenta Yamada; Po-Hung Wang; Kanta Hosokawa (+10 著者) Takehiko Tosha
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 114: 9888 (2017)
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24.
Weight-Averaged Anharmonic Vibrational Analysis of Hydration Structures of Polyamide 6
Bo Thomsen; Tomonori Kawakami; Isamu Shigemoto; Yuji SugitaKiyoshi Yagi
JOURNAL OF PHYSICAL CHEMISTRY B 121: 6050 (2017)
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25.
Infrared Spectra of Protonated Water Clusters, H+(H2O)(4), in Eigen and Zundel Forms Studied by Vibrational Quasi-Degenerate Perturbation Theory
Kiyoshi Yagi; Bo Thomsen
JOURNAL OF PHYSICAL CHEMISTRY A 121: 2386 (2017)
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26.
Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model
Hiroshi Fujisaki; Kiyoshi Yagi; Hiroto Kikuchi; Toshiya TakamiGerhard Stock
CHEMICAL PHYSICS 482: 86 (2017)
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27.
Anharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations
Hiroki Otaki; Kiyoshi Yagi; Shun-ichi Ishiuchi; Masaaki FujiiYuji Sugita
JOURNAL OF PHYSICAL CHEMISTRY B 120: 10199 (2016)
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28.
Detection of Sphingomyelin Clusters by Raman Spectroscopy
Koichiro Shirota; Kiyoshi Yagi; Takehiko Inaba; Pai-Chi Li (+2 著者) Toshihide Kobayashi
BIOPHYSICAL JOURNAL 111: 999 (2016)
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29.
非調和性を考慮した分子振動状態理論の開発と応用
八木 清
Molecular Science 10: A0085 (2016)
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30.
A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer
Kiyoshi Yagi; Pai-Chi Li; Koichiro Shirota; Toshihide KobayashiYuji Sugita
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17: 29113 (2015)
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31.
A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations
Bo Thomsen; Kiyoshi Yagi; Ove Christiansen
CHEMICAL PHYSICS LETTERS 610: 288 (2014)
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32.
Optimized coordinates in vibrational coupled cluster calculations
Bo Thomsen; Kiyoshi Yagi; Ove Christiansen
JOURNAL OF CHEMICAL PHYSICS 140: (2014)
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33.
Vibrational quasi-degenerate perturbation theory with optimized coordinates: Applications to ethylene and trans-1,3-butadiene
Kiyoshi Yagi; Hiroki Otaki
JOURNAL OF CHEMICAL PHYSICS 140: (2014)
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34.
2P202 Probing the sphingomyelin clusters in pure and mix lipid bilayer by the Raman spectroscopy : A theoretical study(13A. Biological & Artificial membrane:Structure & Property,Poster)
Li Pai-Chi; Yagi Kiyoshi; Shirota Koichiro; Kobayashi ToshihideSugita Yuji
Seibutsu Butsuri 54: S228 (2014)
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35.
2P208 ラマン分光法によるモデル膜におけるスフィンゴミエリン会合体の研究(13A. 生体膜・人工膜:構造・物性,ポスター,第52回日本生物物理学会年会(2014年度))
Shirota Koichiro; Inaba Takehiko; Li Pai-Chi; Yagi Kiyoshi (+1 著者) Kobayashi Toshihide
Seibutsu Butsuri 54: S229 (2014)
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36.
Gas-phase spectroscopy and anharmonic vibrational analysis of the 3-residue peptide Z-Pro-Leu-Gly-NH2 by the laser desorption supersonic jet technique
Shun-ichi Ishiuchi; Kohei Yamada; Shamik Chakraborty; Kiyoshi YagiMasaaki Fujii
CHEMICAL PHYSICS 419: 145 (2013)
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37.
Stacked base-pair structures of adenine nucleosides stabilized by the formation of hydrogen-bonding network involving the two sugar groups
Hiroya Asami; Kiyoshi Yagi; Masashi Ohba; Shu-hei UrashimaHiroyuki Saigusa
CHEMICAL PHYSICS 419: 84 (2013)
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38.
Fermi resonance in solid CO2 under pressure
Olaseni Sode; Murat Keceli; Kiyoshi Yagi; So Hirata
JOURNAL OF CHEMICAL PHYSICS 138: (2013)
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39.
ATR-FTIR Analysis of the State of Water in a Sulfonated Block Poly(arylene ether sulfone ketone) Membrane and Proton Conductivity Measurement during the Hydration/Dehydration Cycle
Keiji Kunimatsu; Kiyoshi Yagi; Byungchan Bae; Kenji Miyatake (+1 著者) Masahiro Watanabe
JOURNAL OF PHYSICAL CHEMISTRY C 117: 3762 (2013)
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40.
Hydrogen-Bond Network Transformation in Water-Cluster Anions Induced by the Complex Formation with Benzene
Ryuzo Nakanishi; Takeshi Sato; Kiyoshi Yagi; Takashi Nagata
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3: 3571 (2012)
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