Inclusion of bidentate phosphine molecules in the supercage of FAU zeolite
Okumura, Kazu, Morita, Sachiko, Ohtsuki, Akimichi, Takaba, Hiromitsu
Published in Microporous and mesoporous materials (01.11.2021)
Published in Microporous and mesoporous materials (01.11.2021)
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Formation of a Pt–MgO Solid Solution: Analysis by X‑ray Absorption Fine Structure Spectroscopy
Okumura, Kazu, Hoshi, Hitomi, Iiyoshi, Hikaru, Takaba, Hiromitsu
Published in ACS omega (09.08.2022)
Published in ACS omega (09.08.2022)
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Journal Article
Formation and Segregation of a Pd-MgO Solid Solution Studied by X-ray Absorption Spectroscopy
Okumura, Kazu, Morita, Sachiko, Iiyoshi, Hikaru, Takaba, Hiromitsu
Published in ACS omega (28.02.2023)
Published in ACS omega (28.02.2023)
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Journal Article
A Computational Chemistry Study on Friction of h-MoS2. Part II. Friction Anisotropy
Onodera, Tasuku, Morita, Yusuke, Nagumo, Ryo, Miura, Ryuji, Suzuki, Ai, Tsuboi, Hideyuki, Hatakeyama, Nozomu, Endou, Akira, Takaba, Hiromitsu, Dassenoy, Fabrice, Minfray, Clotilde, Joly-Pottuz, Lucile, Kubo, Momoji, Martin, Jean-Michel, Miyamoto, Akira
Published in The journal of physical chemistry. B (09.12.2010)
Published in The journal of physical chemistry. B (09.12.2010)
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A Computational Chemistry Study on Friction of h-MoS2. Part I. Mechanism of Single Sheet Lubrication
Onodera, Tasuku, Morita, Yusuke, Suzuki, Ai, Koyama, Michihisa, Tsuboi, Hideyuki, Hatakeyama, Nozomu, Endou, Akira, Takaba, Hiromitsu, Kubo, Momoji, Dassenoy, Fabrice, Minfray, Clotilde, Joly-Pottuz, Lucile, Martin, Jean-Michel, Miyamoto, Akira
Published in The journal of physical chemistry. B (31.12.2009)
Published in The journal of physical chemistry. B (31.12.2009)
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Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation
Bai, Shandan, Onodera, Tasuku, Nagumo, Ryo, Miura, Ryuji, Suzuki, Ai, Tsuboi, Hideyuki, Hatakeyama, Nozomu, Takaba, Hiromitsu, Kubo, Momoji, Miyamoto, Akira
Published in Journal of physical chemistry. C (14.06.2012)
Published in Journal of physical chemistry. C (14.06.2012)
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Journal Article
Hydration effects and antifouling properties of poly(vinyl chloride-co-PEGMA) membranes studied using molecular dynamics simulations
Shaikh, Abdul Rajjak, Rajabzadeh, Saeid, Matsuo, Ryuichi, Takaba, Hiromitsu, Matsuyama, Hideto
Published in Applied surface science (01.04.2016)
Published in Applied surface science (01.04.2016)
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Journal Article
Inhomogeneity of Organically Modified Montmorillonite Revealed by Molecular Dynamics Simulation
Miyagawa, Masaya, Hirosawa, Fumiya, Higuchi, Hayato, Takaba, Hiromitsu
Published in ACS omega (27.07.2021)
Published in ACS omega (27.07.2021)
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Journal Article
Molecular Dynamics Simulation Study on CO2 Physical Absorption Mechanisms for Ethylene-Glycol-Based Solvents Using Free Energy Calculations
Nagumo, Ryo, Muraki, Yukihiro, Iwata, Shuichi, Mori, Hideki, Takaba, Hiromitsu, Yamada, Hidetaka
Published in Industrial & engineering chemistry research (27.07.2016)
Published in Industrial & engineering chemistry research (27.07.2016)
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Journal Article
Ionomer content in the catalyst layer of polymer electrolyte membrane fuel cell (PEMFC): Effects on diffusion and performance
Suzuki, Ai, Sen, Unal, Hattori, Tatsuya, Miura, Ryuji, Nagumo, Ryo, Tsuboi, Hideyuki, Hatakeyama, Nozomu, Endou, Akira, Takaba, Hiromitsu, Williams, Mark C., Miyamoto, Akira
Published in International journal of hydrogen energy (01.02.2011)
Published in International journal of hydrogen energy (01.02.2011)
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Journal Article
Molecular simulation of pressure-driven fluid flow in nanoporous membranes
Takaba, Hiromitsu, Onumata, Yasushi, Nakao, Shin-ichi
Published in The Journal of chemical physics (07.08.2007)
Published in The Journal of chemical physics (07.08.2007)
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Evaluation for sintering of electrocatalysts and its effect on voltage drops in high-temperature proton exchange membrane fuel cells (HT-PEMFC)
Suzuki, Ai, Oono, Yuka, Williams, Mark C., Miura, Ryuji, Inaba, Kenji, Hatakeyama, Nozomu, Takaba, Hiromitsu, Hori, Michio, Miyamoto, Akira
Published in International journal of hydrogen energy (01.12.2012)
Published in International journal of hydrogen energy (01.12.2012)
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Journal Article
Assessment of the Antifouling Properties of Polyzwitterions from Free Energy Calculations by Molecular Dynamics Simulations
Nagumo, Ryo, Akamatsu, Kazuki, Miura, Ryuji, Suzuki, Ai, Tsuboi, Hideyuki, Hatakeyama, Nozomu, Takaba, Hiromitsu, Miyamoto, Akira
Published in Industrial & engineering chemistry research (21.03.2012)
Published in Industrial & engineering chemistry research (21.03.2012)
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