フォロー
Shingo Urata
Shingo Urata
AGC Inc.
確認したメール アドレス: agc.com
タイトル
引用先
引用先
Molecular dynamics simulation of swollen membrane of perfluorinated ionomer
S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami
The Journal of Physical Chemistry B 109 (9), 4269-4278, 2005
2322005
Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals
S Urata, A Takada, T Uchimaru, AK Chandra
Chemical physics letters 368 (1-2), 215-223, 2003
802003
Prediction of vapor–liquid equilibrium for binary systems containing HFEs by using artificial neural network
S Urata, A Takada, J Murata, T Hiaki, A Sekiya
Fluid Phase Equilibria 199 (1-2), 63-78, 2002
652002
Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers
S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami
The Journal of Physical Chemistry B 109 (36), 17274-17280, 2005
582005
Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of and dimers
S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of chemical physics 116 (8), 3309-3315, 2002
572002
Intermolecular interaction between the pendant chain of perfluorinated ionomer and water
S Urata, J Irisawa, A Takada, S Tsuzuki, W Shinoda, M Mikami
Physical Chemistry Chemical Physics 6 (13), 3325-3332, 2004
372004
Origin of the mixed alkali effect in silicate glass
Y Onodera, Y Takimoto, H Hijiya, T Taniguchi, S Urata, S Inaba, S Fujita, ...
NPG Asia Materials 11 (1), 1-11, 2019
362019
An atomistic-to-continuum molecular dynamics: Theory, algorithm, and applications
S Li, S Urata
Computer Methods in Applied Mechanics and Engineering 306, 452-478, 2016
362016
Artificial neural network study for the estimation of the C–H bond dissociation enthalpies
S Urata, A Takada, T Uchimaru, AK Chandra, A Sekiya
Journal of fluorine chemistry 116 (2), 163-171, 2002
312002
Ab Initio Calculations of Intermolecular Interaction of CHF3 Dimer:  Origin of Attraction and Magnitude of CH/F Interaction
S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of Physical Chemistry A 107 (39), 7962-7968, 2003
292003
Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: Comparison with …
S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of chemical physics 121 (20), 9917-9924, 2004
272004
Critical parameters and vapor pressure measurements of hydrofluoroethers at high temperatures
M Yasumoto, Y Yamada, J Murata, S Urata, K Otake
Journal of Chemical & Engineering Data 48 (6), 1368-1379, 2003
262003
Structural origins of the mixed alkali effect in alkali aluminosilicate glasses: molecular dynamics study and its assessment
F Lodesani, MC Menziani, H Hijiya, Y Takato, S Urata, A Pedone
Scientific reports 10 (1), 1-18, 2020
242020
A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids
S Urata, S Li
Acta Materialia 155, 153-165, 2018
242018
Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation
AT Kuo, K Takeuchi, A Tanaka, S Urata, S Okazaki, W Shinoda
Polymer 146, 53-62, 2018
242018
Molecular dynamics study on nano‐particles reinforced oxide glass
S Urata, R Ando, M Ono, Y Hayashi
Journal of the American Ceramic Society 101 (6), 2266-2276, 2018
212018
Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3
S Urata, S Tsuzuki, A Takada, M Mikami, T Uchimaru, A Sekiya
Journal of computational chemistry 25 (3), 447-459, 2004
202004
Structural features of sodium silicate glasses from reactive force field‐based molecular dynamics simulations
L Deng, S Urata, Y Takimoto, T Miyajima, SH Hahn, ACT van Duin, J Du
Journal of the American Ceramic Society 103 (3), 1600-1614, 2020
172020
Hydrogen permeation in hydrated perfluorosulfonic acid polymer membranes: effect of polymer crystallinity and equivalent weight
K Takeuchi, AT Kuo, T Hirai, T Miyajima, S Urata, S Terazono, S Okazaki, ...
The Journal of Physical Chemistry C 123 (33), 20628-20638, 2019
172019
A study on the plasticity of soda-lime silica glass via molecular dynamics simulations
S Urata, Y Sato
The Journal of chemical physics 147 (17), 174501, 2017
172017
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論文 1–20