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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41.
A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations
Bo Thomsen; Kiyoshi Yagi; Ove Christiansen
CHEMICAL PHYSICS LETTERS 610: 288 (2014) Semantic Scholar
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42.
Optimized coordinates in vibrational coupled cluster calculations
Bo Thomsen; Kiyoshi Yagi; Ove Christiansen
JOURNAL OF CHEMICAL PHYSICS 140: (2014) Semantic Scholar
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43.
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) Semantic Scholar
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44.
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) Semantic Scholar
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45.
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) Semantic Scholar
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46.
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) Semantic Scholar
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47.
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) Semantic Scholar
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48.
Fermi resonance in solid CO2 under pressure
Olaseni Sode; Murat Keceli; Kiyoshi Yagi; So Hirata
JOURNAL OF CHEMICAL PHYSICS 138: (2013) Semantic Scholar
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49.
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) Semantic Scholar
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50.
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) Semantic Scholar
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51.
Optimized coordinates for anharmonic vibrational structure theories
Kiyoshi Yagi; Murat Keceli; So Hirata
JOURNAL OF CHEMICAL PHYSICS 137: (2012) Semantic Scholar
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52.
DISSOCIATIVE RECOMBINATION OF VIBRATIONALLY COLD CH3+ AND INTERSTELLAR IMPLICATIONS
R. D. Thomas; I. Kashperka; E. Vigren; W. D. Geppert (+7 著者) B. J. McCall
ASTROPHYSICAL JOURNAL 758: (2012) Semantic Scholar
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53.
Ab Initio Path Integral Molecular Dynamics Simulations of F2H− and F2H3+
K. Suzuki; H. Ishibashi; K. Yagi; M. ShigaM. Tachikawa
“Progress in Theoretical Chemistry and Physics" Quantum Systems in Chemistry and Physics 26: 207 (2012) Semantic Scholar
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54.
Extensivity of Energy and Electronic and Vibrational Structure Methods for Crystals
So Hirata; Murat Keceli; Yu-ya Ohnishi; Olaseni SodeKiyoshi Yagi
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 63: 131 (2012) Semantic Scholar
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55.
量子化学計算に基づく分子振動スペクトルの第一原理計算
八木清
分子シミュレーション研究会会誌“アンサンブル 14: 19 (2012)
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56.
非調和性を考慮した赤外・近赤外スペクトルの第1原理計算
八木清
分光研究 61: 163 (2012)
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57.
Theoretical Study on the Excess Electron Binding Mechanism in the [CH3NO2 center dot(H2O)(n)](-) (n=1-6) Anion Clusters
Haruki Motegi; Toshiyuki Takayanagi; Takao Tsuneda; Kiyoshi Yagi (+1 著者) Takashi Nagata
JOURNAL OF PHYSICAL CHEMISTRY A 114: 8939 (2010) Semantic Scholar
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58.
First-principles theories for anharmonic lattice vibrations
So Hirata; Murat Keceli; Kiyoshi Yagi
JOURNAL OF CHEMICAL PHYSICS 133: (2010) Semantic Scholar
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59.
First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation
Murat Keceli; So Hirata; Kiyoshi Yagi
JOURNAL OF CHEMICAL PHYSICS 133: (2010) Semantic Scholar
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60.
Computational Interstellar Chemistry
So Hirata; Peng-Dong Fan; Martin Head-Gordon; Muneaki Kamiya (+6 著者) Kiyoshi Yagi
RECENT ADVANCES IN SPECTROSCOPY: THEORETICAL, ASTROPHYSICAL AND EXPERIMENTAL PERSPECTIVES 21 (2010) Semantic Scholar
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