Mitsutaka Okumura

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Osaka University

Japan

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貴金属ナノクラスター触媒の示すソフトルイス酸性に関する構造活性相関の理論的研究

Open Date: 2017-04-01

Close Date: 2020-03-31

Grant: Close

Theoretical investigaiton for the generation of the properties by the control of spin and geometry of a small number atom containing cluster materials

Open Date: 2011-11-18

Close Date: 2014-03-31

Grant: Close

Theoretical studies of electronic structure, chemical reaction and function of multi-nuclear transition-metal complexes in biological systems

Open Date: 2009-01-01

Close Date: 2011-12-31

Grant: Close

擬縮重多電子系の理論展開と実在系の解明

Open Date: 2008-01-01

Close Date: 2009-12-31

Grant: Close

貴金属クラスター触媒の原子レベル接合効果による協奏機能発現の理論的解明

Open Date: 2008-01-01

Close Date: 2009-12-31

Articles (10)

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2024

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2023

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2023

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2023

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2021

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2021

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2021

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2021

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2021

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2021

Collaborators (5)

Toru Murayama

University of Tokyo

JAPAN

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Ayako Taketoshi

Assistant Professor

Yokohama National University

JAPAN

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Shinsuke Takagi

University of Tokyo

JAPAN

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Akihiro Nakayama

Assistant Professor

Kyushu University

JAPAN

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Kosuke Beppu

Assistant Professor

University of Tokyo

JAPAN

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Mitsutaka Okumura

Research Interests

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Contact this professor

Recent Grants

Articles (10)

Theoretical investigation of CO oxidation over polyoxometalate-supported Au cluster catalyst

Gold/Substituted Hydroxyapatites for Oxidative Esterification: Control of Thin Apatite Layer on Gold Based on Strong Metal–Support Interaction (SMSI) Results in High Activity

Detailed Mechanical Characterization of LiCoO2 and LiNi0.33Co0.33Mn0.33O2 Cathode Materials Using DFT Calculations

Theoretical Study on TiOOH Production over Au/TiO2 Catalyst-Support Dependency of Propylene Oxide Production-

Strong Metal–Support Interaction in Pd/Ca2AlMnO5+δ: Catalytic NO Reduction over Mn-Doped CaO Shell

Effect of surface interactions on spin contamination errors of homogeneous spin dimers, chains, and films: model calculations of Au/MgO and Au/BaO systems

Electron Density-based Estimation of Diradical Character: An Easy Scheme for DFT/Plane-wave Calculations

Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme

Gibbs Energy of Hydrogen Adsorption on Pt Surface by Machine Learning Potential and Metadynamics

Partial oxidation of propylene with H<sub>2</sub> and O<sub>2</sub> over Au supported on ZrO<sub>2</sub> with different structural and surface properties

Collaborators (5)

Toru Murayama

Ayako Taketoshi

Shinsuke Takagi

Akihiro Nakayama

Kosuke Beppu

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