YUMURA Takashi

Profile

Degree

• 2000/03
• 2003/03

Campus Career

Educational Activities

Classes

• Molecular Quantum Chemistry
• Solid State Electronics
• Materials Science
• Physical Properties of Inorganic Materials
• Study on Materials Innovation
• Science of Photoreactive Materials
• Topics in Materials Innovation

Syllabus

Research Activities

Research Field

• Research Field:Fundamental physical chemistry, Nanostructural physics, Nanometer-scale chemistry

Papers

• Theoretical understanding of stability of mechanically interlocked carbon nanotubes and their precursors
  Author : Takashi Yumura; Nobuyuki Sugimori; Shuta Fukuura
  Journal : Physical Chemistry Chemical Physics
  Publication Date : 2023/03
• Ultralong Distance Hydrogen Spillover Enabled by Valence Changes in a Metal Oxide Surface
  Author : Taro Kamada; Taisei Ueda; Shuta Fukuura; Takashi Yumura; Saburo Hosokawa; Tsunehiro Tanaka; Daisuke Kan; Yuichi Shimakawa
  Journal : Journal of the American Chemical Society
  Publication Date : 2023/01
• Nonoxidative Couplings of Methane to Form Ethylene Catalyzed by Coinage Metal-Containing ZSM-5 Zeolites: A Theoretical Study
  Author : Keigo Oishi; Takashi Yumura
  Journal : The Journal of Physical Chemistry C
  Publication Date : 2022/12
• One-dimensional nanospace confinement effects on the chemical properties of organic molecules in carbon nanotubes: Quantum chemical calculation analyses
  Author : Takashi Yumura
  Journal : Carbon Reports
  Publication Date : 2022/12
• Tertiary arsine ligands for the Stille coupling reaction
  Author : Akane Chishiro; Masafumi Konishi; Ryoto Inaba; Takashi Yumura; Hiroaki Imoto; Kensuke Naka
  Journal : Dalton Transactions
  Publication Date : 2022
• Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids
  Author : Akane Chishiro; Ippei Akioka; Akifumi Sumida; Kouki Oka; Norimitsu Tohnai; Takashi Yumura; Hiroaki Imoto; Kensuke Naka
  Journal : Dalton Transactions
  Publication Date : 2022
• Rational design of arsine catalysts for arsa-Wittig reaction
  Author : Junya Yukiyasu; Ryoto Inaba; Takashi Yumura; Hiroaki Imoto; Kensuke Naka
  Journal : Organic Chemistry Frontiers
  Publication Date : 2022
• Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors
  Author : Akifumi Sumida; Ryosuke Kobayashi; Takashi Yumura; Hiroaki Imoto; Kensuke Naka
  Journal : Chemical Communications
  Publication Date : 2021
• Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(i)–Cu(i) double salts
  Author : Ryosuke Kobayashi; Takashi Yumura; Hiroaki Imoto; Kensuke Naka
  Journal : Chemical Communications
  Publication Date : 2021
• Roles of Carbon Nanotube Confinement in Enhancing Second-Order Nonlinear Optical Properties of Triiodobenzene Aggregates
  Author : Takashi Yumura; Shuta Fukuura; Ryohei Miki
  Journal : Journal of Physical Chemistry C
  Publication Date : 2021
• Systematic Study on the Catalytic Arsa‐Wittig Reaction
  Author : Ryoto Inaba; Ikuo Kawashima; Toshiki Fujii; Takashi Yumura; Hiroaki Imoto; Kensuke Naka
  Journal : Chemistry – A European Journal
  Publication Date : 2020/10
• Energetics of Hybrid Structures between Cycloparaphenylene and Carbon Nanotubes: A Dispersion-Corrected Density Functional Theory Study
  Author : Takashi Yumura; Ryohei Miki; Shuta Fukuura; Wataru Yamamoto
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2020/08
• The Effect of B₂O₃ and GeO₂ on the Crystallization of ZnO-Al₂O₃-SiO₂ Glass
  Author : Ryusuke HIGASIDE; Ryouichi SUGIURA; Takashi YUMURA; Arifumi OKADA; Kohei KADONO; Takashi WAKASUGI
  Journal : Journal of the Society of Materials Science, Japan
  Publication Date : 2020/07
• Dithieno[3,4-b:3',4'-d]arsole: A Novel Class of Hetero[5]radialenes
  Author : Aya Urushizaki; Takashi Yumura; Yuichi Kitagawa; Yasuchika Hasegawa; Hiroaki Imoto; Kensuke Naka
  Journal : European Journal of Organic Chemistry
  Publication Date : 2020/07
• Construction of a Bidentate Arsenic Ligand Library Starting from a Cyclooligoarsine
  Author : Hiroaki Imoto; Masafumi Konishi; Shintaro Nishiyama; Hiroshi Sasaki; Susumu Tanaka; Takashi Yumura; Kensuke Naka
  Journal : Chemistry Letters
  Publication Date : 2019/11
• Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosit
  Author : Hiroshi Sasaki; Hiroaki Imoto; Takashi Kitao; Takashi Uemura; Takashi Yumura; Kensuke Naka
  Journal : Chemical Communications
  Publication Date : 2019/06
• Transition Metal‐Catalyzed Direct Arylation of Caged Silsesquioxanes: Substrate Scope and Mechanistic Study
  Author : Hiroaki Imoto; Satoshi Wada; Takashi Yumura; Kensuke Naka
  Journal : European Journal of Inorganic Chemistry
  Publication Date : 2019/04
• Room-Temperature Activation of the C–H Bond in Methane over Terminal ZnII–Oxyl Species in an MFI Zeolite: A Combined Spectroscopic and Computational Study of the Reactive Frontier Molecular Orbitals and Their Origins
  Author : Akira Oda; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : Inorganic Chemistry
  Publication Date : 2019/01
• Why pore width of nanoporous carbon materials determines the preferred solvated states of alkaline cations: A density functional theory calculation study.
  Author : T. Yumura; M. Ishikura; K. Urita
  Journal : Journal Physical Chemistry C
  Publication Date : 2019
• As-Heteropentacenes: An Experimental and Computational Study on a Novel Class of Heteroacenes
  Author : Hiroaki Imoto; Toshiki Fujii; Susumu Tanaka; Shunsuke Yamamoto; Masaya Mitsuishi; Takashi Yumura; Kensuke Naka suke; Mitsuishi Masaya; Yumura Takashi; Naka Kensuke
  Journal : Organic Letters
  Publication Date : 2018/09
• Kinetic Control in the Alignment of Polar π-Conjugated Molecules inside Carbon Nanotubes
  Author : Takashi Yumura; Wataru Yamamoto
  Journal : The Journal of Physical Chemistry C
  Publication Date : 2018/08
• An antiparallel double-stranded BODIPY–porphyrin dyad assembled via a self-complementary B–F⋯Zn interaction
  Author : Mitsuhiko Morisue; Shinya Nakano; Masaki Shimizu; Takashi Yumura
  Journal : Chemical Communications
  Publication Date : 2018
• Porphyrins Sheathed in Quadrupolar Solvation Spheres of Hexafluorobenzene: Solvation-Induced Fluorescence Enhancement and Conformational Confinement
  Author : Mitsuhiko Morisue; Ikuya Ueno; Masaki Shimizu; Takashi Yumura; Noriaki Ikeda
  Journal : The Journal of Physical Chemistry C
  Publication Date : 2017/09
• Importance of the alignment of polar pi conjugated molecules inside carbon nanotubes in determining second-order non-linear optical properties
  Author : Takashi Yumura; Wataru Yamamoto
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2017/09
• Why do zeolites induce an unprecedented electronic state on exchanged metal ions?
  Author : Akira Oda; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2017/09
• Identification of a Stable Zn-II-Oxyl Species Produced in an MFI Zeolite and Its Reversible Reactivity with O-2 at Room Temperature
  Author : Akira Oda; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
  Publication Date : 2017/08
• Platinum(II) Dihalide Complexes with 9-Arsafluorenes: Effects of Ligand Modification on the Phosphorescent Properties
  Author : Hiroaki Imoto; Hiroshi Sasaki; Susumu Tanaka; Takashi Yumura; Kensuke Naka
  Journal : ORGANOMETALLICS
  Publication Date : 2017/07
• Control of aurophilic interaction: conformations and electronic structures of one-dimensional supramolecular architectures
  Author : Hiroaki Imoto; Shintaro Nishiyama; Takashi Yumura; Seiji Watase; Kimihiro Matsukawa; Kensuke Naka
  Journal : DALTON TRANSACTIONS
  Publication Date : 2017/07
• Arsenic Halogenation of 9-Arsafluorene and Utilization for As-C Bond Formation Reaction
  Author : Susumu Tanaka; Hiroaki Imoto; Takashi Yumura; Kensuke Naka
  Journal : ORGANOMETALLICS
  Publication Date : 2017/05
• Crystallization Mechanism of ZnO-Al₂O₃-SiO₂ Glass
  Author : Takashi WAKASUGI; Masato ITO; Arifumi OKADA; Takashi YUMURA; Kohei KADONO
  Journal : Journal of the Society of Materials Science, Japan
  Publication Date : 2017
• Utilizing super-atom orbital ideas to understand properties of silver clusters inside ZSM-5 zeolite
  Author : Takashi Yumura; Mitsuhiro Kumondai; Yasushige Kuroda; Takashi Wakasugi; Hisayoshi Kobayashi
  Journal : RSC ADVANCES
  Publication Date : 2017
• Molecular Shape Recognition by Using a Switchable Luminescent Nonporous Molecular Crystal
  Author : Imoto Hiroaki; Tanaka Susumu; Kato Takuji; Yumura Takashi; Watase Seiji; Matsukawa Kimihiro; Naka Kensuke
  Journal : ORGANOMETALLICS
  Publication Date : 2016/11
• One-dimensional nanowires of pseudoboehmite (aluminum oxyhydroxide γ-AlOOH)
  Author : Sumio Iijima; Takashi Yumura; Zheng Liu
  Journal : Proceedings of the National Academy of Sciences of the United States of America
  Publication Date : 2016/10
• Group 14 Dithienometallole-Linked Ethynylene-Conjugated Porphyrin Dimers
  Author : Morisue Mitsuhiko; Hoshino Yuki; Nakamura Masashi; Yumura Takashi; Machida Shinjiro; Ooyama Yousuke; Shimizu Masaki; Ohshita Joji
  Journal : INORGANIC CHEMISTRY
  Publication Date : 2016/08
• Roles of Water Molecules in Modulating the Reactivity of Dioxygen-Bound Cu-ZSM-5 toward Methane: A Theoretical Prediction
  Author : Takashi Yumura; Yuuki Hirose; Takashi Wakasugi; Yasushige Kuroda; Hisayoshi Kobayashi
  Journal : ACS CATALYSIS
  Publication Date : 2016/04
• Highly Efficient Solid-State Phosphorescence of Platinum Dihalide Complexes with 9-Phenyl-9-arsafluorene Ligands
  Author : Imoto Hiroaki; Tanaka Susumu; Kato Takuji; Watase Seiji; Matsukawa Kimihiro; Yumura Takashi; Naka Kensuke
  Journal : ORGANOMETALLICS
  Publication Date : 2016/02
• Oligoamylose-Entwined Porphyrin: Excited-State Induced-Fit for Chirality Induction
  Author : Mitsuhiko Morisue; Takashi Yumura; Risa Sawada; Masanobu Naito; Yasuhisa Kuroda; Yoshiki Chujo
  Journal : Chemical Communications
  Publication Date : 2016/02
• Combination of solid state NMR and DFT calculation to elucidate the state of sodium in hard carbon electrodes
  Author : Ryohei Morita; Kazuma Gotoh; Mika Fukunishi; Kei Kubota; Shinichi Komaba; Naoto Nishimura; Takashi Yumura; Kenzo Deguchi; Shinobu Ohki; Tadashi Shimizu; Hiroyuki Ishida
  Journal : Journal of Materials Chemistry A
  Publication Date : 2016
• Effect of HfO₂ addition on nucleation in ZnO-Al₂O₃-SiO₂ glass
  Author : Masato ITO; Panitpicha YAOWAKULPATTANA; Shinya KONDO; Takashi YUMURA; Kohei KADONO; Takashi WAKASUGI
  Journal : Journal of the Society of Materials Science, Japan
  Publication Date : 2015
• Key factors in determining the arrangement of pi-conjugated oligomers inside carbon nanotubes
  Author : Takashi Yumura; Hiroki Yamashita
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2015
• Synthesis of an unexpected [Zn-2](2+) species utilizing an MFI-type zeolite as a nano-reaction pot and its manipulation with light and heat
  Author : Akira Oda; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : DALTON TRANSACTIONS
  Publication Date : 2015
• Possibility of copper-ion-exchanged MFI-type zeolite as C-H bond activation material for propane and driving force for activation
  Author : Atsushi Itadani; Yusuke Sogawa; Akira Oda; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Mineo Sato; Yasushige Kuroda
  Journal : The Journal of Physical Chemistry C
  Publication Date : 2015
• Combined Experimental and Computational Approaches To Elucidate the Structures of Silver Clusters inside the ZSM-5 Cavity
  Author : Takashi Yumura; Akira Oda; Hiroe Torigoe; Atsushi Itadani; Yasushige Kuroda; Takashi Wakasugi; Hisayoshi Kobayashi
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2014/10
• An Important Factor in CH4 Activation by Zn Ion in Comparison with Mg Ion in MFI: The Superior Electron-Accepting Nature of Zn2+
  Author : Akira Oda; Hiroe Torigoe; Atsushi Itadani; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2014/07
• Modulating the Electronic Properties of Multimeric Thiophene Oligomers by Utilizing Carbon Nanotube Confinement
  Author : Takashi Yumura; Hiroki Yamashita
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2014/03
• Roles of water molecules in trapping carbon dioxide molecules inside the interlayer space of graphene oxides
  Author : Takashi Yumura; Ayumi Yamasaki
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2014
• Success in Making Zn+ from Atomic Zn-0 Encapsulated in an MFI-Type Zeolite with UV Light Irradiation
  Author : Akira Oda; Hiroe Torigoe; Atsushi Itadani; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
  Publication Date : 2013/12
• Mechanism of CH4 activation on a monomeric Zn2+-ion exchanged in MFI-Type zeolite with a specific Al arrangement: Similarity to the activation site for H2
  Author : Akira Oda; Hiroe Torigoe; Atsushi Itadani; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : Journal of Physical Chemistry C
  Publication Date : 2013/09
• Platinum Clusters on Vacancy-Type Defects of Nanometer-Sized Graphene Patches
  Author : Takashi Yumura; Tatsuya Awano; Hisayoshi Kobayashi; Tokio Yamabe
  Journal : MOLECULES
  Publication Date : 2012/07
• Energetics of dioxygen binding into graphene patches with various sizes and shapes
  Author : Takashi Yumura; Hisayoshi Kobayashi; Tokio Yamabe
  Journal : SCIENCE CHINA-CHEMISTRY
  Publication Date : 2012/05
• The Role of Weak Bonding in Determining the Structure of Thiophene Oligomers inside Carbon Nanotubes
  Author : Hiroki Yamashita; Takashi Yumura
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2012/05
• Dual-Copper Catalytic Site Formed in CuMFI Zeolite Makes Effective Activation of Ethane Possible Even at Room Temperature
  Author : Atsushi Itadani; Hiroe Torigoe; Takashi Yumura; Takahiro Ohkubo; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2012/05
• Properties of Reaction Intermediates from Unzipping Nanotubes via the Diketone Formation: A Computational Study
  Author : Takashi Yumura; Toshiyuki Kanemitsu
  Journal : JOURNAL OF NANOMATERIALS
  Publication Date : 2012
• Unprecedented Reversible Redox Process in the ZnMFI-H-2 System Involving Formation of Stable Atomic Zn-0
  Author : Akira Oda; Hiroe Torigoe; Atsushi Itadani; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
  Publication Date : 2012
• Behavior of Ag-3 Clusters Inside a Nanometer-Sized Space of ZSM-5 Zeolite
  Author : Takashi Yumura; Tomohiro Nanba; Hiroe Torigoe; Yasushige Kuroda; Hisayoshi Kobayashi
  Journal : INORGANIC CHEMISTRY
  Publication Date : 2011/07
• Chemically reactive species remain alive inside carbon nanotubes: a density functional theory study
  Author : Takashi Yumura
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2011
• 1,4-Dihydro-1,4-diarsinine-Bridged Dinuclear trans-Dihaloplatinum(II) Complexes: Synthesis and Controlled Pt-Pt interaction by Halogen Substitution Induced Conformational Change
  Author : Arita Manabu; Naka Kensuke; Shimamoto Tatsuo; Yumura Takashi; Nakahashi Akiko; Morisaki Yasuhiro; Chujo Yoshiki
  Journal : ORGANOMETALLICS
  Publication Date : 2010/11
• Roles of radical characters of pristine and nitrogen-substituted hydrographene in dioxygen bindings
  Author : Takashi Yumura; Hisayoshi Kobayashi; Tokio Yamabe
  Journal : JOURNAL OF CHEMICAL PHYSICS
  Publication Date : 2010/11
• Direct Information on Structure and Energetic Features of Cu+-Xe Species Formed in MFI-Type Zeolite at Room Temperature
  Author : Hiroe Torigoe; Toshinori Mori; Kazuhiko Fujie; Takahiro Ohkubo; Atsushi Itadani; Kazuma Gotoh; Hiroyuki Ishida; Hiroki Yamashita; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : JOURNAL OF PHYSICAL CHEMISTRY LETTERS
  Publication Date : 2010/09
• The Variety of Carbon-Metal Bonds inside Cu-ZSM-5 Zeolites: A Density Functional Theory Study
  Author : Takashi Yumura; Saki Hasegawa; Atsushi Itadani; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : MATERIALS
  Publication Date : 2010/04
• Site-specific Xe additions into Cu-ZSM-5 zeolite
  Author : Takashi Yumura; Hiroki Yamashita; Hiroe Torigoe; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2010
• Existence of dual species composed of Cu⁺ in CuMFI being bridged by C2H2
  Author : Itadani A; Yumura T; Ohkubo T; Kobayashi H; Kuroda Y
  Journal : Physical Chemistry Chemical Physics
  Publication Date : 2010
• Roles of Conformational Restrictions of a Bismalonate in the Interactions with a Carbon Nanotube
  Author : Takashi Yumura; Miklos Kertesz
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2009/08
• Potential for C-H Activation in CH4 Utilizing a CuMFI-Type Zeolite as a Catalyst
  Author : Atsushi Itadani; Hiroyuki Sugiyama; Masashi Tanaka; Takahiro Ohkubo; Takashi Yumura; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : JOURNAL OF PHYSICAL CHEMISTRY C
  Publication Date : 2009/04
• The use of nanometer-sized hydrographene species for support material for fuel cell electrode catalysts: a theoretical proposal
  Author : Takashi Yumura; Keisuke Kimura; Hisayoshi Kobayashi; Ryo Tanaka; Norio Okumura; Tokio Yamabe
  Journal : PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  Publication Date : 2009
• Effects of ZSM-5 Zeolite Confinement on Reaction Intermediates during Dioxygen Activation by Enclosed Dicopper Cations
  Author : Takashi Yumura; Mina Takeuchi; Hisayoshi Kobayashi; Yasushige Kuroda
  Journal : INORGANIC CHEMISTRY
  Publication Date : 2009/01
• Confinement effects on site-preferences for cycloadditions into carbon nanotubes
  Author : Takashi Yumura; Miklos Kertesz; Sumio Iijima
  Journal : CHEMICAL PHYSICS LETTERS
  Publication Date : 2007/08
• Cooperative behaviors in carbene additions through local modifications of nanotube surfaces
  Author : Takashi Yumura; Miklos Kertesz
  Journal : CHEMISTRY OF MATERIALS
  Publication Date : 2007/03
• Local modifications of single-wall carbon nanotubes induced by bond formation with encapsulated fullerenes
  Author : Takashi Yumura; Miklos Kertesz; Sumio Iijima
  Journal : JOURNAL OF PHYSICAL CHEMISTRY B
  Publication Date : 2007/02
• Correlation between atomic rearrangement in defective fullerenes and migration behavior of encaged metal ions
  Author : Sato Yuta; Yumura Takashi; Suenaga Kazu; Urita Koki; Kataura Hiromichi; Kodama Takeshi; Shinohara Hisanori; Iijima Sumio
  Journal : PHYSICAL REVIEW B
  Publication Date : 2006/06
• Direct imaging of intracage structure in titanium-carbide endohedral metallofullerene
  Author : Y Sato; T Yumura; K Suenaga; H Moribe; D Nishide; M Ishida; H Shinohara; S Iijima
  Journal : PHYSICAL REVIEW B
  Publication Date : 2006/05
• Quantum Size Effect of Fineite-length Carbon Nanotubes
  Author : Yumura, T; Nozaki, D; Hirahara, K; Bandow, S; Iijima, S; Yoshizawa, K
  Journal : Annual Report–Section C
  Publication Date : 2006
• Gate Effects of Vacancy-type Defects on Metal Migrations from Metallofullerenes
  Author : Yumura, T; Sato, Y; Urita, K; Suenaga, K; Iijima, S
  Journal : Nano Letters
  Publication Date : 2006
• End-cap effects on vibrational structures of finite-length carbon nanotubes
  Author : T Yumura; D Nozaki; S Bandow; K Yoshizawa; S Iijima
  Journal : JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
  Publication Date : 2005/08
• Electronic structures and band gaps of chains and sheets based on phenylacetylene units
  Author : M Kondo; D Nozaki; M Tachibana; T Yumura; K Yoshizawa
  Journal : CHEMICAL PHYSICS
  Publication Date : 2005/06
• Which Do Ti2C80 Molecules Prefer Energetically Ti2@C80 or Ti2C2@C78?: A Theoretical Study
  Author : Yumura, T; Sato, Y; Suenaga, K; Iijima, S
  Journal : The Journal of Physical Chemistry B
  Publication Date : 2005
• The role of fullerene hemispheres in determining structural features of finite-length carbon nanotubes
  Author : T Yumura; S Bandow; K Yoshizawa; S Iijima
  Journal : JOURNAL OF PHYSICAL CHEMISTRY B
  Publication Date : 2004/08
• A vibrational analysis on possible peroxo forms of soluble methane monooxygenase
  Author : T Yumura; K Yoshizawa
  Journal : BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
  Publication Date : 2004/07
• A theoretical study on the geometrical features of finite-length carbon nanotubes capped with fullerene hemisphere
  Author : T Yumura; K Hirahara; S Bandow; K Yoshizawa; S Iijima
  Journal : CHEMICAL PHYSICS LETTERS
  Publication Date : 2004/03
• Raman scattering study on fullerene derived intermediates formed within single-wall carbon nanotube: from peapod to double-wall carbon nanotube
  Author : S Bandow; T Hiraoka; T Yumura; K Hirahara; H Shinohara; S Iijima
  Journal : CHEMICAL PHYSICS LETTERS
  Publication Date : 2004/01
• Alkane oxidation by VO2+ in the gas phase: A unique dependence of reactivity on the chain length
  Author : M Engeser; M Schlangen; D Schroder; H Schwarz; T Yumura; K Yoshizawa
  Journal : ORGANOMETALLICS
  Publication Date : 2003/09
• A non-radical mechanism for methane hydroxylation at the diiron active site of soluble methane monooxygenase
  Author : K Yoshizawa; T Yumura
  Journal : CHEMISTRY-A EUROPEAN JOURNAL
  Publication Date : 2003/05
• Second-order perturbational analysis of the interaction between graphite sheets
  Author : Takashi Yumura; Kazunari Yoshizawa
  Journal : Chemical Physics
  Publication Date : 2002/06
• Mechanism for the formaldehyde to formic acid and the formic acid to carbon dioxide conversions mediated by an iron-oxo species
  Author : T Yumura; T Amenomori; Y Kagawa; K Yoshizawa
  Journal : JOURNAL OF PHYSICAL CHEMISTRY A
  Publication Date : 2002/01
• Regioselectivity in 2-methylbutane hydroxylation mediated by FeO+ and FeO2+
  Author : T Yumura; K Yoshizawa
  Journal : ORGANOMETALLICS
  Publication Date : 2001/04
• Reaction Pathways for the He, Li, and Li⁺ Penetrations of the Benzene Ring
  Author : Yumura Takashi; Shiota Yoshihito; Yoshizawa Kazunari
  Journal : Journal of Chemical Software
  Publication Date : 2001
• The role of orbital interactions in determining the interlayer spacing in graphite slabs
  Author : K Yoshizawa; T Yumura; T Yamabe; S Bandow
  Journal : JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
  Publication Date : 2000/12
• Direct methane-methanol and benzene-phenol conversions on Fe-ZSM-5 zeolite: Theoretical predictions on the reaction pathways and energetics
  Author : K Yoshizawa; Y Shiota; T Yumura; T Yamabe
  Journal : JOURNAL OF PHYSICAL CHEMISTRY B
  Publication Date : 2000/02
• Formation of an iron-oxo species upon decomposition of dinitrogen oxide on a model of Fe-ZSM-5 zeolite
  Author : K Yoshizawa; T Yumura; Y Shiota; T Yamabe
  Journal : BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
  Publication Date : 2000/01
• Direct Methane–Methanol and Benzene–Phenol Conversions on Fe–ZSM-5 Zeolite: Theoretical Predictions on the Reaction Pathways and Energetics
  Author : Yoshizawa, K; Shiota, Y; Yumura, T; Yamabe, T
  Journal : The Journal of Physical Chemistry B
  Publication Date : 2000
• A second-order effect causing the layer structure of arsenic
  Author : K Yoshizawa; T Yumura; T Yamabe
  Journal : JOURNAL OF CHEMICAL PHYSICS
  Publication Date : 1999/06

Books etc

• Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials. Density Functional Theory Studies on Fullerenes and Nanotubes. edited by Basiuk, V. A. and Irle, S. 367-389. (Chapter 9)
  Publisher : Research Singpost, Kerala, India,
  Publication Date : 2008