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Yuta Tsuji  辻 雄太

… Alternative Names

Tsuji Yuta  辻 雄太

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Researcher Number 80727074
Other IDs
  • ORCIDhttps://orcid.org/0000-0003-4224-4532
Affiliation (Current) 2025: 九州大学, 総合理工学研究院, 准教授
Affiliation (based on the past Project Information) *help 2021 – 2025: 九州大学, 総合理工学研究院, 准教授
2017 – 2020: 九州大学, 先導物質化学研究所, 助教
Review Section/Research Field
Principal Investigator
Basic Section 32010:Fundamental physical chemistry-related / Science and Engineering / Transformative Research Areas, Section (II) / Physical chemistry
Except Principal Investigator
Transformative Research Areas, Section (II)
Keywords
Principal Investigator
第一原理計算 / 触媒 / 表面 / メタン / 密度汎関数法 / エレクトライド / 粒子群最適化 / グリーン関数 / 分子エレクトロニクス / 分子デバイス … More / 単一原子合金 / ウォルシュ図 / 拡張Hueckel法 / クラスター / 合金 / バンド計算 / 不均一系触媒 / Walsh図 / 軌道相関図 / 結晶軌道 / 表面科学 / クラスター触媒 / 中心性 / グラフ理論 / モーメント / 化学グラフ / 金属クラスター / 化学グラフ理論 / 群知能 / アンモニア / 酸化物 / 活性化エネルギー / 複合アニオン / データベース / 粒子群最適化アルゴリズム / 結晶構造 / ベイズ最適化 / 進化論的アルゴリズム / 電子輸送 / 単分子接合 / 交互炭化水素 / 分子ワイヤー / 芳香族性 / コンダクタンス / 分子伝導 / 量子干渉 … More
Except Principal Investigator
触媒 / 表面 / 遺伝的アルゴリズム / フォノン / 点欠陥 / マテリアルズ・インフォマティクス / セラミック材料 / 表面構造 / 材料インフォマティクス / 分子ユニット / 第一原理計算 Less
  • Research Projects

    (8 results)
  • Research Products

    (187 results)
  • Co-Researchers

    (7 People)
  •  ベイズ的機械学習を用いた高エントロピー酸化物触媒の最適化Principal Investigator

    • Principal Investigator
      辻 雄太
    • Project Period (FY)
      2025 – 2026
    • Research Category
      Grant-in-Aid for Transformative Research Areas (A)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Kyushu University
  •  革新的水電解触媒の設計に向けたスケーリング則の軌道論的起源の解明Principal Investigator

    • Principal Investigator
      辻 雄太
    • Project Period (FY)
      2024 – 2027
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Kyushu University
  •  Computational Science of Designing and Elucidating the Functions of Supra-ceramics

    • Principal Investigator
      桑原 彰秀
    • Project Period (FY)
      2022 – 2026
    • Research Category
      Grant-in-Aid for Transformative Research Areas (A)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Japan Fine Ceramics Center
  •  Application of Orbital Correlation Diagrams to Surface SciencePrincipal Investigator

    • Principal Investigator
      Tsuji Yuta
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Kyushu University
  •  化学グラフ理論による物質解析および物質探索Principal Investigator

    • Principal Investigator
      辻 雄太
    • Project Period (FY)
      2020 – 2021
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Kyushu University
  •  複合アニオンによる触媒活性制御Principal Investigator

    • Principal Investigator
      辻 雄太
    • Project Period (FY)
      2019 – 2020
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Kyushu University
  •  Materials Exploration by Crystal Structure Prediction Using Particle Swarm Optimization and Evolutionary AlgorithmPrincipal Investigator

    • Principal Investigator
      辻 雄太
    • Project Period (FY)
      2018 – 2019
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Research Institution
      Kyushu University
  •  Prediction and control of quantum interference phenomena in molecular assembliesPrincipal Investigator

    • Principal Investigator
      Tsuji Yuta
    • Project Period (FY)
      2017 – 2019
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University

All 2024 2023 2022 2021 2020 2019 2018 2017

All Journal Article Presentation Book

  • [Book] メタンと二酸化炭素 ~ その触媒的化学変換技術の現状と展望 ~2023

    • Author(s)
      塩田淑仁、辻雄太(執筆分担)、吉澤一成
    • Total Pages
      442
    • Publisher
      ㈱シーエムシー・リサーチ
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Book] Comprehensive Inorganic Chemistry III (Third Edition)2023

    • Author(s)
      Yuta Tsuji
    • Total Pages
      7208
    • Publisher
      Elsevier
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Journal Article] Ready-to-transfer two-dimensional materials using tunable adhesive force tapes2024

    • Author(s)
      Nakatani Maki、Fukamachi Satoru、Solis-Fernandez Pablo、Honda Satoshi、Kawahara Kenji、Tsuji Yuta、Sumiya Yosuke、Kuroki Mai、Li Kou、Liu Qiunan、Lin Yung-Chang、Uchida Aika、Oyama Shun、Ji Hyun Goo、Okada Kenichi、Suenaga Kazu、Kawano Yukio、Yoshizawa Kazunari、Yasui Atsushi、Ago Hiroki
    • Journal Title

      Nature Electronics

      Volume: 7 Issue: 2 Pages: 119-130

    • DOI

      10.1038/s41928-024-01121-3

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-23K17863, KAKENHI-PROJECT-23K19125, KAKENHI-PROJECT-21K04996, KAKENHI-ORGANIZER-21H05232, KAKENHI-PLANNED-22H05146, KAKENHI-PUBLICLY-22H05478, KAKENHI-PROJECT-22H00335
  • [Journal Article] Molecular Understanding of the Distinction between Adhesive Failure and Cohesive Failure in Adhesive Bonds with Epoxy Resin Adhesives2024

    • Author(s)
      Tsuji Yuta
    • Journal Title

      Langmuir

      Volume: 40 Issue: 14 Pages: 7479-7491

    • DOI

      10.1021/acs.langmuir.3c04015

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Journal Article] Hueckel Molecular Orbital Analysis for Stability and Instability of Stacked Aromatic and Stacked Antiaromatic Systems2023

    • Author(s)
      Tsuji Yuta、Okazawa Kazuki、Yoshizawa Kazunari
    • Journal Title

      The Journal of Organic Chemistry

      Volume: 88 Issue: 21 Pages: 14887-14898

    • DOI

      10.1021/acs.joc.3c01167

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23KJ1708, KAKENHI-PROJECT-21K04996, KAKENHI-PLANNED-22H05146
  • [Journal Article] Mechanistic origins of accelerated hydrogenation of mixed alkylaromatics by synchronised adsorption over Rh/SiO<sub>2</sub>2023

    • Author(s)
      Cherkasov Nikolay、Asano Shusaku、Tsuji Yuta、Okazawa Kazuki、Yoshizawa Kazunari、Miyamura Hiroyuki、Hayashi Jun-ichiro、Kunitsa Alexander A.、Jackson S. David
    • Journal Title

      Reaction Chemistry &amp; Engineering

      Volume: 8 Issue: 6 Pages: 1341-1348

    • DOI

      10.1039/d3re00032j

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-22K14536, KAKENHI-PLANNED-22H05146, KAKENHI-PLANNED-21H05083, KAKENHI-PLANNED-21H05082
  • [Journal Article] Low-temperature selective oxidation of methane to methanol over a platinum oxide2023

    • Author(s)
      Takagaki Atsushi、Tsuji Yuta、Yamasaki Tatsuya、Kim Sun、Shishido Tetsuya、Ishihara Tatsumi、Yoshizawa Kazunari
    • Journal Title

      Chemical Communications

      Volume: 59 Issue: 3 Pages: 286-289

    • DOI

      10.1039/d2cc05351a

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Discovery of Unconventional Proton‐Conducting Inorganic Solids via Defect‐Chemistry‐Trained, Interpretable Machine Learning2023

    • Author(s)
      Fujii Susumu、Shimizu Yuta、Hyodo Junji、Kuwabara Akihide、Yamazaki Yoshihiro
    • Journal Title

      Advanced Energy Materials

      Volume: 13 Issue: 39 Pages: 2301892-2301892

    • DOI

      10.1002/aenm.202301892

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Journal Article] Analysis of Metal Clusters Based on Graph-Theoretic Interpretation of the Lowest Occupied Molecular Orbital2023

    • Author(s)
      TSUJI Yuta
    • Journal Title

      Vacuum and Surface Science

      Volume: 66 Issue: 3 Pages: 158-163

    • DOI

      10.1380/vss.66.158

    • ISSN
      2433-5835, 2433-5843
    • Year and Date
      2023-03-10
    • Language
      Japanese
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Exploring Metal Nanocluster Catalysts for Ammonia Synthesis Using Informatics Methods: A Concerted Effort of Bayesian Optimization, Swarm Intelligence, and First-Principles Computation2023

    • Author(s)
      Tsuji Yuta、Yoshioka Yuta、Okazawa Kazuki、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 8 Issue: 33 Pages: 30335-30348

    • DOI

      10.1021/acsomega.3c03456

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PLANNED-22H05146
  • [Journal Article] Extraordinary Acceleration of an Electrophilic Reaction Driven by the Polar Surface of 2D Aluminosilicate Nanosheets2023

    • Author(s)
      L. Torad Nagy、Tsuji Yuta、Alowasheeir Azhar、Momotake Masako、Okazawa Kazuki、Yoshizawa Kazunari、Matsumoto Michio、Yamato Masafumi、Yamauchi Yusuke、Eguchi Miharu
    • Journal Title

      Small

      Volume: 19 Issue: 11 Pages: 2205857-2205857

    • DOI

      10.1002/smll.202205857

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-22K14739, KAKENHI-PLANNED-22H05146
  • [Journal Article] Stacking of a Cofacially Stacked Iron Phthalocyanine Dimer on Graphite Achieved High Catalytic CH<sub>4</sub> Oxidation Activity Comparable to That of pMMO2023

    • Author(s)
      Yamada Yasuyuki、Morita Kentaro、Sugiura Takuya、Toyoda Yuka、Mihara Nozomi、Nagasaka Masanari、Takaya Hikaru、Tanaka Kiyohisa、Koitaya Takanori、Nakatani Naoki、Ariga-Miwa Hiroko、Takakusagi Satoru、Hitomi Yutaka、Kudo Toshiji、Tsuji Yuta、Yoshizawa Kazunari、Tanaka Kentaro
    • Journal Title

      JACS Au

      Volume: 3 Issue: 3 Pages: 823-833

    • DOI

      10.1021/jacsau.2c00618

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-22K19045, KAKENHI-PROJECT-21H01802, KAKENHI-PROJECT-23K23362, KAKENHI-PROJECT-22K05360, KAKENHI-PROJECT-23K23424
  • [Journal Article] Concepts of Computational Approach to Explore Heterogeneous Catalysts for Direct Methane Conversion2023

    • Author(s)
      Tsuji Yuta、Yoshida Masataka、Yoshizawa Kazunari、Kamachi Takashi
    • Journal Title

      ChemCatChem

      Volume: 15 Issue: 9

    • DOI

      10.1002/cctc.202201488

    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Journal Article] Theoretical Study of Surface Reactions from a Molecular Science Perspective2023

    • Author(s)
      Tsuji Yuta
    • Journal Title

      Mol. Sci.

      Volume: 17 Issue: 1 Pages: A0124

    • DOI

      10.3175/molsci.17.A0124

    • ISSN
      1881-8404
    • Language
      Japanese
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Elucidating the Effects of Chemisorbed Water Molecules on the Adhesive Interactions of Epoxy Resin to γ-Alumina Surfaces2023

    • Author(s)
      Uwabe Takahiro、Sumiya Yosuke、Tsuji Yuta、Nakamura Shin、Yoshizawa Kazunari
    • Journal Title

      Langmuir

      Volume: 39 Issue: 50 Pages: 18537-18547

    • DOI

      10.1021/acs.langmuir.3c02883

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PLANNED-22H05146, KAKENHI-PROJECT-22H00335
  • [Journal Article] Locality Error Free Effective Core Potentials for 3d Transition Metal Elements Developed for the Diffusion Monte Carlo Method2023

    • Author(s)
      Ichibha Tom、Nikaido Yutaka、Bennett M. Chandler、Krogel Jaron T.、Hongo Kenta、Maezono Ryo、Reboredo Fernando A.
    • Journal Title

      The Journal of Chemical Physics

      Volume: 159 Issue: 16 Pages: 164114-164114

    • DOI

      10.1063/5.0175381

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400, KAKENHI-PLANNED-22H05146, KAKENHI-PUBLICLY-23H04623
  • [Journal Article] Frontier Orbital Views of Stacked Aromaticity2023

    • Author(s)
      Okazawa Kazuki、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 127 Issue: 22 Pages: 4780-4786

    • DOI

      10.1021/acs.jpca.3c00360

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23KJ1708, KAKENHI-PROJECT-21K04996, KAKENHI-PLANNED-22H05146
  • [Journal Article] Adsorption Site Preference Determined by Triangular Topology: Application of the Method of Moments to Transition Metal Surfaces2022

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 126 Issue: 31 Pages: 13505-13519

    • DOI

      10.1021/acs.jpcc.2c04656

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Graph-theoretical exploration of the relation between conductivity and connectivity in heteroatom-containing single-molecule junctions2022

    • Author(s)
      Okazawa Kazuki、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Chemical Physics

      Volume: 156 Issue: 9 Pages: 091102-091102

    • DOI

      10.1063/5.0083486

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-22H00335
  • [Journal Article] Shear adhesive strength between epoxy resin and copper surfaces: a density functional theory study2022

    • Author(s)
      Sumiya Yosuke、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 24 Issue: 44 Pages: 27289-27301

    • DOI

      10.1039/d2cp03354b

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Toward Computational Screening of Bimetallic Alloys for Methane Activation: A Case Study of MgPt Alloy2022

    • Author(s)
      Yoshida Masataka、Tsuji Yuta、Iguchi Shoji、Nishiguchi Hikari、Yamanaka Ichiro、Abe Hideki、Kamachi Takashi、Yoshizawa Kazunari
    • Journal Title

      ACS Catalysis

      Volume: 12 Issue: 15 Pages: 9458-9472

    • DOI

      10.1021/acscatal.2c01601

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Coordination-Induced Trigger for Activity: N-Heterocyclic Carbene-Decorated Ceria Catalysts Incorporating Cr and Rh with Activity Induction by Surface Adsorption Site Control2022

    • Author(s)
      Ikemoto Satoru、Muratsugu Satoshi、Koitaya Takanori、Tsuji Yuta、Das Mowpriya、Yoshizawa Kazunari、Glorius Frank、Tada Mizuki
    • Journal Title

      Journal of the American Chemical Society

      Volume: 145 Issue: 3 Pages: 1497-1504

    • DOI

      10.1021/jacs.2c07290

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-20J22190, KAKENHI-PROJECT-21K18978
  • [Journal Article] Theoretical Study on the Contribution of Interfacial Functional Groups to the Adhesive Interaction between Epoxy Resins and Aluminum Surfaces2022

    • Author(s)
      Nakamura Shin、Yamamoto Satoru、Tsuji Yuta、Tanaka Keiji、Yoshizawa Kazunari
    • Journal Title

      Langmuir

      Volume: 38 Issue: 21 Pages: 6653-6664

    • DOI

      10.1021/acs.langmuir.2c00529

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-22H00335
  • [Journal Article] Topology Dictates Magnetic and Conductive Properties of a π-Stacked System: Insight into Possible Coexistence of Magnetic and Conductive Systems2022

    • Author(s)
      Tsuji Yuta、Okazawa Kazuki、Kurino Keita、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 126 Issue: 6 Pages: 3244-3256

    • DOI

      10.1021/acs.jpcc.1c10502

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-22H00335
  • [Journal Article] Exploring the Optimal Alloy for Nitrogen Activation by Combining Bayesian Optimization with Density Functional Theory Calculations2022

    • Author(s)
      Okazawa Kazuki、Tsuji Yuta、Kurino Keita、Yoshida Masataka、Amamoto Yoshifumi、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 7 Issue: 49 Pages: 45403-45408

    • DOI

      10.1021/acsomega.2c05988

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Homogeneous catalyst modifier for alkyne semi-hydrogenation: systematic screening in an automated flow reactor and computational study on mechanisms2022

    • Author(s)
      Asano Shusaku、Adams Samuel J.、Tsuji Yuta、Yoshizawa Kazunari、Tahara Atsushi、Hayashi Jun-ichiro、Cherkasov Nikolay
    • Journal Title

      Reaction Chemistry & Engineering

      Volume: 7 Issue: 8 Pages: 1818-1826

    • DOI

      10.1039/d2re00147k

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-22K14536, KAKENHI-PUBLICLY-22H05554, KAKENHI-PLANNED-21H05083, KAKENHI-PROJECT-22H00335, KAKENHI-PROJECT-19K05504, KAKENHI-PROJECT-23K23357
  • [Journal Article] Comparative study of the ideal and actual adhesion interfaces of the die bonding structure using conductive adhesives2022

    • Author(s)
      Tsurumi Naoaki、Tsuji Yuta、Baba Taiki、Murata Hiroyuki、Masago Noriyuki、Yoshizawa Kazunari
    • Journal Title

      The Journal of Adhesion

      Volume: 98 Issue: 1 Pages: 24-48

    • DOI

      10.1080/00218464.2020.1807958

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Peel Adhesion Strength between Epoxy Resin and Hydrated Silica Surfaces: A Density Functional Theory Study2022

    • Author(s)
      Sumiya Yosuke、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 7 Issue: 20 Pages: 17393-17400

    • DOI

      10.1021/acsomega.2c01544

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04996, KAKENHI-PROJECT-22H00335
  • [Journal Article] Oxidative Addition of Methane and Reductive Elimination of Ethane and Hydrogen on Surfaces: From Pure Metals to Single Atom Alloys2022

    • Author(s)
      Tsuji Yuta、Yoshida Masataka、Kamachi Takashi、Yoshizawa Kazunari
    • Journal Title

      Journal of the American Chemical Society

      Volume: 144 Issue: 40 Pages: 18650-18671

    • DOI

      10.1021/jacs.2c08787

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Journal Article] Bonding of C1 fragments on metal nanoclusters: a search for methane conversion catalysts with swarm intelligence2021

    • Author(s)
      Hori Mikiya、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 23 Issue: 25 Pages: 14004-14015

    • DOI

      10.1039/d1cp00345c

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Competition between Hydrogen Bonding and Dispersion Force in Water Adsorption and Epoxy Adhesion to Boron Nitride: From the Flat to the Curved2021

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      Langmuir

      Volume: 37 Issue: 38 Pages: 11351-11364

    • DOI

      10.1021/acs.langmuir.1c01935

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption2021

    • Author(s)
      Tsuji Yuta、Yoshioka Yuta、Hori Mikiya、Yoshizawa Kazunari
    • Journal Title

      Topics in Catalysis

      Volume: 65 Issue: 1-4 Pages: 215-227

    • DOI

      10.1007/s11244-021-01512-2

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Elucidation of Adhesive Interaction between the Epoxy Molding Compound and Cu Lead Frames2021

    • Author(s)
      Tsurumi Naoaki、Tsuji Yuta、Masago Noriyuki、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 6 Issue: 49 Pages: 34173-34184

    • DOI

      10.1021/acsomega.1c05914

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Electronic Origin of Catalytic Activity of TiH2 for Ammonia Synthesis2021

    • Author(s)
      Tsuji Yuta、Okazawa Kazuki、Kobayashi Yoji、Kageyama Hiroshi、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 125 Issue: 7 Pages: 3948-3960

    • DOI

      10.1021/acs.jpcc.0c10907

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-19H04700, KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Theoretical Study on the Adhesion Interaction between Epoxy Resin Including Curing Agent and Plated Gold Surface2021

    • Author(s)
      Tsuji Yuta、Baba Taiki、Tsurumi Naoaki、Murata Hiroyuki、Masago Noriyuki、Yoshizawa Kazunari
    • Journal Title

      Langmuir

      Volume: 37 Issue: 13 Pages: 3982-3995

    • DOI

      10.1021/acs.langmuir.1c00285

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Effect of chemically induced permittivity changes on the plasmonic properties of metal nanoparticles2021

    • Author(s)
      Saito Noboru、Ryuzaki Sou、Tsuji Yuta、Noguchi Yutaka、Matsuda Rintaro、Wang Pangpang、Tanaka Daisuke、Arima Yusuke、Okamoto Koichi、Yoshizawa Kazunari、Tamada Kaoru
    • Journal Title

      Communications Materials

      Volume: 2 Issue: 1 Pages: 54-54

    • DOI

      10.1038/s43246-021-00159-6

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K05234, KAKENHI-PROJECT-19K15467, KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-19H05627, KAKENHI-PROJECT-21K04996
  • [Journal Article] Molecular Dynamics Study on the Thermal Aspects of the Effect of Water Molecules at the Adhesive Interface on an Adhesive Structure2021

    • Author(s)
      Nakamura Shin、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      Langmuir

      Volume: 37 Issue: 50 Pages: 14724-14732

    • DOI

      10.1021/acs.langmuir.1c02653

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] From Infection Clusters to Metal Clusters: Significance of the Lowest Occupied Molecular Orbital (LOMO)2021

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 6 Issue: 2 Pages: 1339-1351

    • DOI

      10.1021/acsomega.0c04913

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-19H04700, KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Mixed Anion Control of the Partial Oxidation of Methane to Methanol on the β-PtO<sub>2</sub> Surface2021

    • Author(s)
      Tsuji Yuta、Kurino Keita、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 6 Issue: 21 Pages: 13858-13869

    • DOI

      10.1021/acsomega.1c01476

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-20H04643, KAKENHI-PROJECT-21K04996
  • [Journal Article] Theoretical Study on the Electronic Structure of Heavy Alkali-Metal Suboxides2020

    • Author(s)
      Tsuji Yuta、Hori Mikiya、Yoshizawa Kazunari
    • Journal Title

      Inorganic Chemistry

      Volume: 59 Issue: 2 Pages: 1340-1354

    • DOI

      10.1021/acs.inorgchem.9b03046

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17K14440
  • [Journal Article] Role of Hydrogen-Bonding and OH?π Interactions in the Adhesion of Epoxy Resin on Hydrophilic Surfaces2020

    • Author(s)
      Nakamura Shin、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 5 Issue: 40 Pages: 26211-26219

    • DOI

      10.1021/acsomega.0c03798

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-19H04700, KAKENHI-PUBLICLY-20H04643
  • [Journal Article] Optimization of Work Function via Bayesian Machine Learning Combined with First-Principles Calculation2020

    • Author(s)
      Hashimoto Wataru、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 18 Pages: 9958-9970

    • DOI

      10.1021/acs.jpcc.0c01106

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-19H04700, KAKENHI-PUBLICLY-20H04643
  • [Journal Article] Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and π-Stack Compression2020

    • Author(s)
      Tsuji Yuta、Okazawa Kazuki、Chen Bo、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 42 Pages: 22941-22958

    • DOI

      10.1021/acs.jpcc.0c06198

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-19H04700, KAKENHI-PUBLICLY-20H04643
  • [Journal Article] Mixed-Anion Control of C-H Bond Activation of Methane on the IrO2 Surface2020

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 31 Pages: 17058-17072

    • DOI

      10.1021/acs.jpcc.0c04541

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-19H04700, KAKENHI-PUBLICLY-20H04643
  • [Journal Article] Understanding Single-Molecule Parallel Circuits on the Basis of Frontier Orbital Theory2020

    • Author(s)
      Okazawa Kazuki、Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 5 Pages: 3322-3331

    • DOI

      10.1021/acs.jpcc.9b08595

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17K14440
  • [Journal Article] Influence of long-range interactions on quantum interference in molecular conduction. A tight-binding (Hueckel) approach2019

    • Author(s)
      Tsuji Yuta、Estrada Ernesto
    • Journal Title

      The Journal of Chemical Physics

      Volume: 150 Issue: 20 Pages: 204123-204123

    • DOI

      10.1063/1.5097330

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17K14440
  • [Journal Article] Theoretical Study on the Relation between the Frontier Orbital and the Conductance in Aromatic Single-Molecular Parallel Circuits2019

    • Author(s)
      OKAZAWA Kazuki、TSUJI Yuta、YOSHIZAWA Kazunari
    • Journal Title

      J. Comput. Chem. Jpn.

      Volume: 18 Issue: 5 Pages: 227-229

    • DOI

      10.2477/jccj.2019-0038

    • NAID

      130007808009

    • ISSN
      1347-1767, 1347-3824
    • Language
      Japanese
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17K14440
  • [Journal Article] Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?2019

    • Author(s)
      Gu Junjing、Wu Wei、Stuyver Thijs、Danovich David、Hoffmann Roald、Tsuji Yuta、Shaik Sason
    • Journal Title

      Journal of the American Chemical Society

      Volume: 141 Issue: 14 Pages: 6030-6047

    • DOI

      10.1021/jacs.9b01420

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17K14440
  • [Journal Article] Methane Activation at the Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study2019

    • Author(s)
      Singha Rajib Kumar、Tsuji Yuta、Mahyuddin Muhammad Haris、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 123 Issue: 15 Pages: 9788-9798

    • DOI

      10.1021/acs.jpcc.8b11973

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17K14440
  • [Journal Article] Lithium-Richest Phase of Lithium Tetrelides Li17Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride2019

    • Author(s)
      Tsuji Yuta、Hashimoto Wataru、Yoshizawa Kazunari
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 92 Issue: 7 Pages: 1154-1169

    • DOI

      10.1246/bcsj.20190040

    • NAID

      130007679364

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17K14440
  • [Journal Article] Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite2019

    • Author(s)
      Tsuji Yuta、Kitamura Yasuhiro、Someya Masao、Takano Toshihiko、Yaginuma Michio、Nakanishi Kohei、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 4 Issue: 3 Pages: 4491-4504

    • DOI

      10.1021/acsomega.9b00129

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-18H04488, KAKENHI-PUBLICLY-19H04700, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17K14440
  • [Journal Article] Effects of electron-phonon coupling on quantum interference in polyenes2018

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Chemical Physics

      Volume: 149 Issue: 13 Pages: 134115-134115

    • DOI

      10.1063/1.5048955

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K14440, KAKENHI-PUBLICLY-18H04488, KAKENHI-PROJECT-17H03117
  • [Journal Article] Quantum Interference, Graphs, Walks, and Polynomials2018

    • Author(s)
      Tsuji Yuta、Estrada Ernesto、Movassagh Ramis、Hoffmann Roald
    • Journal Title

      Chemical Reviews

      Volume: 118 Issue: 10 Pages: 4887-4911

    • DOI

      10.1021/acs.chemrev.7b00733

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440, KAKENHI-PUBLICLY-18H04488
  • [Journal Article] Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length2018

    • Author(s)
      Stuyver Thijs、Zeng Tao、Tsuji Yuta、Geerlings Paul、De Proft Frank
    • Journal Title

      Nano Letters

      Volume: 18 Issue: 11 Pages: 7298-7304

    • DOI

      10.1021/acs.nanolett.8b03503

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440, KAKENHI-PUBLICLY-18H04488
  • [Journal Article] Frontier Orbital Perspective for Quantum Interference in Alternant and Nonalternant Hydrocarbons2017

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 121 Issue: 17 Pages: 9621-9626

    • DOI

      10.1021/acs.jpcc.7b02274

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440, KAKENHI-PROJECT-17H03117
  • [Journal Article] Valence Bond Theory Reveals Hidden Delocalized Diradical Character of Polyenes2017

    • Author(s)
      Gu Junjing、Wu Wei、Danovich David、Hoffmann Roald、Tsuji Yuta、Shaik Sason
    • Journal Title

      Journal of the American Chemical Society

      Volume: 139 Issue: 27 Pages: 9302-9316

    • DOI

      10.1021/jacs.7b04410

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Journal Article] The Influence of Linkers on Quantum Interference: A Linker Theorem2017

    • Author(s)
      Tsuji Yuta、Stuyver Thijs、Gunasekaran Suman、Venkataraman Latha
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 121 Issue: 27 Pages: 14451-14462

    • DOI

      10.1021/acs.jpcc.7b03493

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Journal Article] Captodative Substitution: A Strategy for Enhancing the Conductivity of Molecular Electronic Devices2017

    • Author(s)
      Stuyver Thijs、Zeng Tao、Tsuji Yuta、Fias Stijn、Geerlings Paul、De Proft Frank
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 122 Issue: 6 Pages: 3194-3200

    • DOI

      10.1021/acs.jpcc.7b10877

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 固体と分子の相互作用に関する軌道原理2023

    • Author(s)
      辻雄太
    • Organizer
      第 1 回 超セラミックス 研究講演会
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Topological Aspect of Adsorption Site Selectivity on Metal Surfaces2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      iTHEMS Theoretical Physics Seminar
    • Invited
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Presentation] 情報科学的手法の物質科学への応用2023

    • Author(s)
      辻雄太
    • Organizer
      日本化学会第103春季年会(2023)
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Topological Aspect of Adsorption Site Selectivity on Metal Surfaces2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      iTHEMS Theoretical Physics Seminar
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 不均一系触媒反応の軌道理論2023

    • Author(s)
      辻雄太
    • Organizer
      材料の理論設計:第一原理計算と機械学習
    • Invited
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Presentation] 分子科学的視点に基づく表面反応の理論的研究2023

    • Author(s)
      辻雄太
    • Organizer
      第17回分子科学討論会2023 大阪
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Understanding adsorption site selectivity based on chemical bond topology2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      International Symposium on the Frontiers of Functional Inorganic Materials Research
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 計算科学および情報科学を活用した触媒材料探索2023

    • Author(s)
      辻雄太
    • Organizer
      新化学技術推進協会 先端化学・材料技術部会 コンピュータケミストリ分科会 勉強会
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Theoretical Study of Coordination Polymer Photocatalyst2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      The 2nd Symposium on Materials Chemistry for New Properties and Functions
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Discovery of unconventional and synthesizable proton conductive oxides driven by high-throughput first-principles calculations2023

    • Author(s)
      Susumu Fujii, Yuta Shimizu, Junji Hyodo, Akihide Kuwabara, Yosihiro Yamazaki
    • Organizer
      MRM2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Presentation] Application of Graph Theory to Surface Science2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      70th Annual Meeting of Taiwan Institute of Chemical Engineers
    • Invited
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Presentation] Theoretical Study of Coordination Polymer Photocatalyst2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      The 2nd Symposium on Materials Chemistry for New Properties and Functions
    • Invited
    • Data Source
      KAKENHI-PLANNED-22H05146
  • [Presentation] 不均一系触媒反応の軌道理論2023

    • Author(s)
      辻雄太
    • Organizer
      材料の理論設計:第一原理計算と機械学習
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Application of Graph Theory to Surface Science2023

    • Author(s)
      Yuta Tsuji
    • Organizer
      70th Annual Meeting of Taiwan Institute of Chemical Engineers
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 軌道相関図を用いた非酸化的メタンカップリング反応の理論的研究2023

    • Author(s)
      辻雄太吉田将隆、蒲池高志、吉澤一成
    • Organizer
      第131回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 量子化学計算に基づいた接着界面の分子論的描像2022

    • Author(s)
      辻雄太
    • Organizer
      接着・接合技術コンソーシアム 第18回企業ワークショップ
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] モーメントを用いた表面幾何構造の理解2022

    • Author(s)
      辻雄太
    • Organizer
      日本応用数理学会2022年度年会
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Understanding Adsorption Site Preference Based on the Topology of the Adsorption Interface2022

    • Author(s)
      Yuta Tsuji
    • Organizer
      International Congress on Pure & Applied Chemistry Kota Kinabalu (ICPAC KK) 2022
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] マテリアルズインフォマティクスに基づいた窒素活性化合金触媒の探索2022

    • Author(s)
      岡澤 一樹栗野 啓太、辻 雄太、吉澤 一成
    • Organizer
      第59回化学関連支部合同九州大会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 単一π積層分子接合の伝導特性に関する理論的研究2022

    • Author(s)
      岡澤 一樹辻 雄太、吉澤 一成
    • Organizer
      第16回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 群知能を用いた金属クラスター触媒の探索2022

    • Author(s)
      辻雄太堀幹矢、吉澤一成
    • Organizer
      第16回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 積層π共役単分子接合の電気伝導特性に関する理論的研究2022

    • Author(s)
      岡澤 一樹辻 雄太、吉澤 一成
    • Organizer
      第24回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 芳香族性を有するπスタック単分子接合の伝導特性に関する理論的研究2022

    • Author(s)
      岡澤 一樹辻 雄太、吉澤 一成
    • Organizer
      日本コンピュータ化学会2022秋季年会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 量子化学計算による接着界面の理論的研究2021

    • Author(s)
      辻雄太
    • Organizer
      日本接着学会西部支部若手主催講演会
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] Mixed Anion Control of Catalytic Activity2021

    • Author(s)
      Yuta Tsuji, Kazunari Yoshizawa
    • Organizer
      International Conference on Mixed-Anion Compounds
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 量子化学計算による水和表面におけるエポキシ樹脂の接着相互作用の解析2021

    • Author(s)
      中村伸、辻雄太、吉澤一成
    • Organizer
      第70回高分子学会年次大会
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 金属クラスターの反応と物性に関する理論的研究2021

    • Author(s)
      辻雄太
    • Organizer
      "触媒インフォマティクス研究会 2021 "
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 情報科学的手法を活用した物質解析・物質探索2021

    • Author(s)
      辻雄太
    • Organizer
      総理工情報科学セミナー
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 情報科学的手法を活用した物質解析・物質探索2021

    • Author(s)
      辻雄太
    • Organizer
      総理工情報科学セミナー
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 表面反応を理解するための軌道相関図の方法2021

    • Author(s)
      辻雄太、吉澤一成
    • Organizer
      日本化学会第101春季年会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] Reactivity and Properties of Metal Clusters2021

    • Author(s)
      Yuta Tsuji
    • Organizer
      The 21st International Conference on Discrete Geometric Analysis for Materials Design
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 表面反応を理解するための軌道相関図の方法2021

    • Author(s)
      辻雄太、吉澤一成
    • Organizer
      日本化学会第101春季年会
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 固体触媒反応の軌道理論2021

    • Author(s)
      辻雄太
    • Organizer
      凝縮系の理論化学2021
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 化学グラフ理論による物質解析2021

    • Author(s)
      辻雄太
    • Organizer
      第15回 物性科学領域横断研究会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] エレクトロニクスにおける接着界面の理論的研究2021

    • Author(s)
      辻雄太、馬場太基、鶴見直明、村田裕幸、真砂紀之、吉澤一成
    • Organizer
      第70回高分子討論会
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 量子化学計算による接着界面の理論的研究2021

    • Author(s)
      辻雄太
    • Organizer
      日本接着学会西部支部若手主催講演会
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] Mixed Anion Control of Catalytic Activity2021

    • Author(s)
      Yuta Tsuji, Kazunari Yoshizawa
    • Organizer
      International Conference on Mixed-Anion Compounds
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 金属クラスターの反応と物性に関する理論的研究2021

    • Author(s)
      辻雄太
    • Organizer
      触媒インフォマティクス研究会 2021
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 量子化学計算による水和表面におけるエポキシ樹脂の接着相互作用の解析2021

    • Author(s)
      中村伸、辻雄太、吉澤一成
    • Organizer
      第70回高分子学会年次大会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] 最低被占軌道について2021

    • Author(s)
      辻雄太、吉澤一成
    • Organizer
      第23回理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 化学グラフ理論による物質解析2021

    • Author(s)
      辻雄太
    • Organizer
      第15回 物性科学領域横断研究会
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 固体触媒反応の軌道理論2021

    • Author(s)
      辻雄太
    • Organizer
      凝縮系の理論化学2021
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] 最低被占軌道について2021

    • Author(s)
      辻雄太、吉澤一成
    • Organizer
      第23回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] エレクトロニクスにおける接着界面の理論的研究2021

    • Author(s)
      辻雄太、馬場太基、鶴見直明、村田裕幸、真砂紀之、吉澤一成
    • Organizer
      第70回高分子討論会
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Reactivity and Properties of Metal Clusters2021

    • Author(s)
      Yuta Tsuji
    • Organizer
      The 21st International Conference on Discrete Geometric Analysis for Materials Design
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04996
  • [Presentation] Informatics study on Methane Activation on binary alloy2020

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 複合アニオンによる活性化エネルギー制御2020

    • Author(s)
      辻雄太
    • Organizer
      第二回複合アニオンウェブセミナー
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] β-プラチナ酸化物表面上でのメタン活性化に関する理論的研究2020

    • Author(s)
      栗野 啓太、辻 雄太、吉澤 一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 複合アニオンによる活性化エネルギー制御2020

    • Author(s)
      辻雄太
    • Organizer
      第二回複合アニオンウェブセミナー
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-20H04643
  • [Presentation] Informatics study on Methane Activation on binary alloy2020

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Informatics study on Methane Activation on binary alloy2020

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] How to discover new electrides2020

    • Author(s)
      辻 雄太、橋本航、堀幹矢、吉澤一成
    • Organizer
      日本化学会第100春季年会2020
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 重アルカリ金属亜酸化物の電子状態に関する理論的研究2020

    • Author(s)
      堀幹矢、辻雄太、吉澤一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 2成分合金表面によるメタン活性化の触媒インフォマティクス2020

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      ESICB触媒・電子論合同検討会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] How to discover new electrides2020

    • Author(s)
      辻 雄太、橋本航、堀幹矢、吉澤一成
    • Organizer
      日本化学会第100春季年会2020
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] β-プラチナ酸化物表面上でのメタン活性化に関する理論的研究2020

    • Author(s)
      栗野 啓太、辻 雄太、吉澤 一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] How to discover new electrides2020

    • Author(s)
      辻 雄太、橋本航、堀幹矢、吉澤一成
    • Organizer
      日本化学会第100春季年会2020
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 2成分合金表面によるメタン活性化の触媒インフォマティクス2020

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      ESICB触媒・電子論合同検討会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 重アルカリ金属亜酸化物の電子状態に関する理論的研究2020

    • Author(s)
      堀幹矢、辻雄太、吉澤一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 重アルカリ金属亜酸化物の電子状態に関する理論的研究2020

    • Author(s)
      堀幹矢、辻雄太、吉澤一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 2成分合金表面によるメタン活性化の触媒インフォマティクス2020

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      ESICB触媒・電子論合同検討会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] β-プラチナ酸化物表面上でのメタン活性化に関する理論的研究2020

    • Author(s)
      栗野 啓太、辻 雄太、吉澤 一成
    • Organizer
      日本化学会第100回春季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 新規エレクトライド物質の探索2019

    • Author(s)
      辻 雄太
    • Organizer
      2019年度DV-Xα研究協会特別講演会
    • Invited
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] フロンティア軌道論に基づく単分子並列回路の電気伝導の理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻 雄太、橋本航、吉澤一成
    • Organizer
      統合物質機構 第5回国内シンポジウム
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻 雄太、橋本航、吉澤一成
    • Organizer
      統合物質機構 第5回国内シンポジウム
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] ルビジウム亜酸化物の理論的研究2019

    • Author(s)
      堀幹矢、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] Effects of Electron-Phonon Coupling on Quantum Interference in Polyenes2019

    • Author(s)
      辻 雄太、吉澤 一成
    • Organizer
      IRCCS The 2nd International Symposium
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] フロンティア軌道論に基づいたπ共役系の伝導度と導電経路の関係性の解明2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] リチウムテトレライドの電子状態に関する理論的研究2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 5d 遷移金属表面による触媒的窒素固定の理論的研究2019

    • Author(s)
      吉田 将隆、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 単一分子スケールにおける電気伝導と導電経路の関係性2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      九重分子科学セミナー2019
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻 雄太、橋本航、吉澤一成
    • Organizer
      統合物質機構 第5回国内シンポジウム
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 遷移金属表面における触媒的窒素固定の反応機構解析2019

    • Author(s)
      吉田 将隆、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 単分子並列回路におけるフロンティア軌道と伝導度の関係2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      日本コンピュータ化学会2019 秋季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] フロンティア軌道論に基づく単分子並列回路の電気伝導の理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] Adsorption and Activation of Methane on the (110) Surface of IrO22019

    • Author(s)
      辻 雄太、吉澤一成
    • Organizer
      Materials Research Meeting 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] π共役系の導電経路と伝導度の関係に関する理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 新規エレクトライド物質の探索2019

    • Author(s)
      辻 雄太
    • Organizer
      2019年度DV-Xα研究協会特別講演会
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 金とエポキシ樹脂の界面における接着相互作用の理論的研究2019

    • Author(s)
      馬場太基、村田裕幸、辻雄太、鶴見直明、眞砂紀之、吉澤一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 新規エレクトライド物質の探索2019

    • Author(s)
      辻 雄太
    • Organizer
      2019年度DV-Xα研究協会特別講演会
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 金とエポキシ樹脂の界面における接着相互作用の理論的研究2019

    • Author(s)
      馬場太基、村田裕幸、辻雄太、鶴見直明、眞砂紀之、吉澤一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] Adsorption and Activation of Methane on the (110) Surface of IrO22019

    • Author(s)
      辻 雄太、吉澤一成
    • Organizer
      Materials Research Meeting 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Mathematical Approach for Molecular Conduction2019

    • Author(s)
      辻 雄太、吉澤一成
    • Organizer
      Materials Research Meeting 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] Mathematical Approach for Molecular Conduction2019

    • Author(s)
      辻 雄太、吉澤一成
    • Organizer
      Materials Research Meeting 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] ルビジウム亜酸化物の理論的研究2019

    • Author(s)
      堀幹矢、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] フロンティア軌道論に基づいたπ共役系の伝導度と導電経路の関係性の解明2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] リチウムテトレライドの電子状態に関する理論的研究2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 2成分合金表面によるメタン活性化制御の触媒インフォマティク ス2019

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] π共役系の導電経路と伝導度の関係に関する理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] フロンティア軌道論に基づいたπ共役系の伝導度と導電経路の関係性の解明2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      日本コンピュータ化学会2019 秋季年会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] ルビジウム亜酸化物の電子状態に関する理論的研究2019

    • Author(s)
      堀幹矢、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      日本コンピュータ化学会2019 秋季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 単一分子スケールにおける電気伝導と導電経路の関係性2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      九重分子科学セミナー2019
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] フロンティア軌道論に基づく単分子並列回路の電気伝導の理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 新規エレクトライド物質の探索2019

    • Author(s)
      辻 雄太、橋本航、吉澤一成
    • Organizer
      第13回 物性科学領域横断研究会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] ルビジウム亜酸化物の電子状態に関する理論的研究2019

    • Author(s)
      堀幹矢、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] ルビジウム亜酸化物の理論的研究2019

    • Author(s)
      堀幹矢、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 2成分合金表面によるメタン活性化制御の触媒インフォマティク ス2019

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 5d 遷移金属表面による触媒的窒素固定の理論的研究2019

    • Author(s)
      吉田 将隆、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 遷移金属表面における触媒的窒素固定の反応機構解析2019

    • Author(s)
      吉田 将隆、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 5d 遷移金属表面による触媒的窒素固定の理論的研究2019

    • Author(s)
      吉田 将隆、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] リチウムテトレライドの電子状態に関する理論的研究2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 単一分子スケールにおける電気伝導と導電経路の関係性2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      九重分子科学セミナー2019
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 金とエポキシ樹脂の界面における接着相互作用の理論的研究2019

    • Author(s)
      馬場太基、村田裕幸、辻雄太、鶴見直明、眞砂紀之、吉澤一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] 遷移金属表面における触媒的窒素固定の反応機構解析2019

    • Author(s)
      吉田 将隆、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 新規エレクトライド物質の探索2019

    • Author(s)
      辻 雄太、橋本航、吉澤一成
    • Organizer
      第13回 物性科学領域横断研究会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] 単分子並列回路におけるフロンティア軌道と伝導度の関係2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      日本コンピュータ化学会2019 秋季年会
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] ルビジウム亜酸化物の電子状態に関する理論的研究2019

    • Author(s)
      堀幹矢、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 2成分合金表面によるメタン活性化制御の触媒インフォマティク ス2019

    • Author(s)
      吉田 将隆、斎藤 雅史、 蒲池高志 、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] π共役系の導電経路と伝導度の関係に関する理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第22回 理論化学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Mathematical Approach for Molecular Conduction2019

    • Author(s)
      辻 雄太、吉澤一成
    • Organizer
      Materials Research Meeting 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 単分子並列回路におけるフロンティア軌道と伝導度の関係2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      日本コンピュータ化学会2019 秋季年会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      日本コンピュータ化学会2019 秋季年会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 新規エレクトライド物質の探索2019

    • Author(s)
      辻 雄太、橋本航、吉澤一成
    • Organizer
      第13回 物性科学領域横断研究会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Adsorption and Activation of Methane on the (110) Surface of IrO22019

    • Author(s)
      辻 雄太、吉澤一成
    • Organizer
      Materials Research Meeting 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-19H04700
  • [Presentation] Frontier Orbital Perspective for Quantum Interference in Alternant and Nonalternant Hydrocarbons2018

    • Author(s)
      Yuta Tsuji, Kazunari Yoshizawa
    • Organizer
      IRCCS-JST CREST Joint Symposium “Chemical sciences facing difficult challenges”
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Effects of Electron-Phonon Coupling on Quantum Interference in Polyenes2018

    • Author(s)
      辻雄太
    • Organizer
      IRCCS The 2nd International Symposium
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Frontier Orbital Perspective for Electron Transport in Alternant and Nonalternant Hydrocarbons2018

    • Author(s)
      Yuta Tsuji, Kazunari Yoshizawa
    • Organizer
      ICPAC2018
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] "Activation of Methane on the Surface of Rutile-Type Metal Dioxides"2018

    • Author(s)
      辻 雄太、吉澤 一成
    • Organizer
      A Satellite Symposium to celebrate Prof. Kenichi Fukui's 100th birthday
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] "Activation of Methane on the Surface of Rutile-Type Metal Dioxides"2018

    • Author(s)
      辻雄太
    • Organizer
      A Satellite Symposium to celebrate Prof. Kenichi Fukui's 100th birthday
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Quantum Interference in Molecular Conductance through Alternant and Non-Alternant Hydrocarbons2018

    • Author(s)
      Yuta Tsuji, Kazunari Yoshizawa
    • Organizer
      日本化学会第98春季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Adsorption and Activation of Methane on Metal Oxide Surface2018

    • Author(s)
      辻 雄太、吉澤 一成
    • Organizer
      日本化学会第99春季年会2019
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 酸化イリジウム表面でのメタンの CH 結合活性化についての理論的研究2018

    • Author(s)
      辻 雄太、吉澤 一成
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] 結晶構造予測法と第一原理計算に基づく物質探索2018

    • Author(s)
      辻 雄太
    • Organizer
      物質と情報科学セミナー(第1回)
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-18H04488
  • [Presentation] Ir(CO)3Clの伝導性に関する理論的研究2017

    • Author(s)
      辻雄太、Roald Hoffmann、Joel Miller
    • Organizer
      第11回 分子科学討論会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] らせん状ポリエンの構造と物性に関する理論的研究2017

    • Author(s)
      辻雄太、Roald Hoffmann
    • Organizer
      日本コンピュータ化学会2017秋季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • [Presentation] Ir錯体の電子物性に関する理論的研究2017

    • Author(s)
      辻雄太、Roald Hoffmann、Joel Miller
    • Organizer
      日本コンピュータ化学会2017春季年会
    • Data Source
      KAKENHI-PROJECT-17K14440
  • 1.  桑原 彰秀 (30378799)
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  • 2.  前園 涼 (40354146)
    # of Collaborated Projects: 1 results
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  • 3.  HONGOU Kenta
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 4.  浅野 周作
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 5.  吾郷 浩樹
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 6.  松本 道生
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  • 7.  龍崎 奏
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