Mitsutaka Okumura
Osaka University
H-index: 54
Asia-Japan
Top articles of Mitsutaka Okumura
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Supported Noble Metal Catalysts and Adsorbents with Soft Lewis Acid Functions | Haruno Murayama Qi‐An Huang Eiji Yamamoto Makoto Tokunaga Tamao Ishida | 2023/11 | |
Gold/Substituted Hydroxyapatites for Oxidative Esterification: Control of Thin Apatite Layer on Gold Based on Strong Metal–Support Interaction (SMSI) Results in High Activity | ACS Applied Materials & Interfaces | Ayako Taketoshi Yuvaraj Gangarajula Ryusei Sodenaga Akihiro Nakayama Mitsutaka Okumura | 2023/7/6 |
Ab-initio Study of the Strain Tuning Method for Improving Li Diffusion Performance of the LiCoO2 Cathode Material in Lithium-ion Batteries | Chemistry Letters | Masato Torii Takashi Kawakami Shusuke Yamanaka Mitsutaka Okumura | 2023/6 |
Detailed Mechanical Characterization of LiCoO2 and LiNi0.33Co0.33Mn0.33O2 Cathode Materials Using DFT Calculations | Chemistry Letters | Masato Torii Takashi Kawakami Shusuke Yamanaka Mitsutaka Okumura | 2023/5 |
Improved Mechanical Characterization of LiCoO2 Cathode Material by Ab-Initio Calculations Using Density Functional Theory | Bulletin of the Chemical Society of Japan | Masato Torii Takashi Kawakami Shusuke Yamanaka Mitsutaka Okumura | 2023/5 |
Theoretical Study on TiOOH Production over Au/TiO2 Catalyst —Support Dependency of Propylene Oxide Production— | Chemistry Letters | Yasutaka Hamada Yuki Mishima Tomohisa Yonemori Takashi Kawakami Shusuke Yamanaka | 2023/12/5 |
Variation in spin contamination and diradical character with distance between a singlet biradical molecule and surface | Surfaces and Interfaces | Koji Fujimaru Kohei Tada Hiroyuki Ozaki Mitsutaka Okumura Shingo Tanaka | 2022/10/1 |
Diradical Characters of s-Indaceno [1, 2, 3-cd; 5, 6, 7-c’d’] Diphenalene with and without Interaction with MgO (001) | e-Journal of Surface Science and Nanotechnology | Kohei Tada Hiroyuki Ozaki Koji Fujimaru Yasutaka Kitagawa Takashi Kawakami | 2022/3/19 |
Can we enhance diradical character using interaction with stoichiometric surfaces of ionic oxides? A theoretical investigation using chemical indices | Physical Chemistry Chemical Physics | Kohei Tada Hiroyuki Ozaki Koji Fujimaru Yasutaka Kitagawa Takashi Kawakami | 2021 |
Effect of surface interactions on spin contamination errors of homogeneous spin dimers, chains, and films: model calculations of Au/MgO and Au/BaO systems | Molecular Physics | Kohei Tada Akihide Hayashi Tomohiro Maruyama Hiroaki Koga Shusuke Yamanaka | 2021/7/3 |
Gibbs Energy of Hydrogen Adsorption on Pt Surface by Machine Learning Potential and Metadynamics | Chemistry Letters | Akihide Hayashi Yoshinori Ato Akira Yamamoto Hisao Yoshida Shusuke Yamanaka | 2021/7 |
Pt/CeO2 with residual chloride as reusable soft Lewis acid catalysts: Application to highly efficient isomerization of allylic esters | Applied Catalysis B: Environmental | Qi-An Huang Asahi Haruta Yuhya Kumamoto Haruno Murayama Eiji Yamamoto | 2021/11/5 |
Strong Metal–Support Interaction in Pd/Ca2AlMnO5+δ: Catalytic NO Reduction over Mn-Doped CaO Shell | ACS Catalysis | Saburo Hosokawa Yudai Oshino Toyokazu Tanabe Hiroaki Koga Kosuke Beppu | 2021/6/17 |
Theoretical study on redox potential control of iron-sulfur cluster by hydrogen bonds: A possibility of redox potential programming | Molecules | Iori Era Yasutaka Kitagawa Natsumi Yasuda Taigo Kamimura Naoka Amamizu | 2021/10/11 |
Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme | Chemical Physics Letters | Kohei Tada Shusuke Yamanaka Takashi Kawakami Yasutaka Kitagawa Mitsutaka Okumura | 2021/2/16 |
Extension of the Linear Response Function of Electron Density to a Plane-wave Basis and the First Application to Periodic Surface Systems | Chemistry Letters | Tomohiro Maruyama Jinta Ohnari Kohei Tada Yoyo Hinuma Takashi Kawakami | 2021/10 |
Electron density-based estimation of diradical character: an easy scheme for DFT/plane-wave calculations | Chemistry Letters | Kohei Tada Yasutaka Kitagawa Takashi Kawakami Mitsutaka Okumura Shingo Tanaka | 2021/2 |
Partial oxidation of propylene with H2 and O2 over Au supported on ZrO2 with different structural and surface properties | Journal of Catalysis | Yuhua Zheng Mitsutaka Okumura Xiaoyue Hua Ayaka Sonoura Huijuan Su | 2021/9/1 |
Comparison of Effective Exchange Integrals of HH and H-He-H Chains vs. Single Molecules: A Theoretical Study | Chemistry Letters | Kohei Tada Takashi Kawakami Yasutaka Kitagawa Mitsutaka Okumura Kizashi Yamaguchi | 2020/2 |
Clarification of the Relationship between the Magnetic and Conductive Properties of Infinite Chains in Trioxotriangulene Radical Crystals by Spin‐Projected DFT/Plane‐Wave … | Advanced Theory and Simulations | Kohei Tada Takashi Kawakami Shingo Tanaka Mitsutaka Okumura Kizashi Yamaguchi | 2020/7 |
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