| Direct methane− methanol and benzene− phenol conversions on Fe− ZSM-5 zeolite: Theoretical predictions on the reaction pathways and energetics K Yoshizawa, Y Shiota, T Yumura, T Yamabe The Journal of Physical Chemistry B 104 (4), 734-740, 2000 | 157 | 2000 |
| Raman scattering study on fullerene derived intermediates formed within single-wall carbon nanotube: from peapod to double-wall carbon nanotube S Bandow, T Hiraoka, T Yumura, K Hirahara, H Shinohara, S Iijima Chemical physics letters 384 (4-6), 320-325, 2004 | 137 | 2004 |
| Combination of solid state NMR and DFT calculation to elucidate the state of sodium in hard carbon electrodes R Morita, K Gotoh, M Fukunishi, K Kubota, S Komaba, N Nishimura, ... Journal of materials chemistry A 4 (34), 13183-13193, 2016 | 97 | 2016 |
| Which do endohedral Ti2C80 metallofullerenes prefer energetically: Ti2@ C80 or Ti2C2@ C78? A theoretical study T Yumura, Y Sato, K Suenaga, S Iijima The Journal of Physical Chemistry B 109 (43), 20251-20255, 2005 | 86 | 2005 |
| Alkane Oxidation by VO2+ in the Gas Phase: A Unique Dependence of Reactivity on the Chain Length M Engeser, M Schlangen, D Schröder, H Schwarz, T Yumura, ... Organometallics 22 (19), 3933-3943, 2003 | 84 | 2003 |
| Effects of ZSM-5 zeolite confinement on reaction intermediates during dioxygen activation by enclosed dicopper cations T Yumura, M Takeuchi, H Kobayashi, Y Kuroda Inorganic chemistry 48 (2), 508-517, 2009 | 82 | 2009 |
| The use of nanometer-sized hydrographene species for support material for fuel cell electrode catalysts: a theoretical proposal T Yumura, K Kimura, H Kobayashi, R Tanaka, N Okumura, T Yamabe Physical Chemistry Chemical Physics 11 (37), 8275-8284, 2009 | 79 | 2009 |
| A theoretical study on the geometrical features of finite-length carbon nanotubes capped with fullerene hemisphere T Yumura, K Hirahara, S Bandow, K Yoshizawa, S Iijima Chemical Physics Letters 386 (1-3), 38-43, 2004 | 71 | 2004 |
| Formation of an Iron-Oxo Species upon Decomposition of Dinitrogen Oxide on a Model of Fe-ZSM-5 Zeolite. K Yoshizawa, T Yumura, Y Shiota, T Yamabe Bulletin of the Chemical Society of Japan 73 (1), 29-36, 2000 | 68 | 2000 |
| Roles of water molecules in modulating the reactivity of dioxygen-bound Cu-ZSM-5 toward methane: a theoretical prediction T Yumura, Y Hirose, T Wakasugi, Y Kuroda, H Kobayashi ACS Catalysis 6 (4), 2487-2495, 2016 | 63 | 2016 |
| End-cap effects on vibrational structures of finite-length carbon nanotubes T Yumura, D Nozaki, S Bandow, K Yoshizawa, S Iijima Journal of the American Chemical Society 127 (33), 11769-11776, 2005 | 62 | 2005 |
| 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 A Oda, H Torigoe, A Itadani, T Ohkubo, T Yumura, H Kobayashi, Y Kuroda The Journal of Physical Chemistry C 117 (38), 19525-19534, 2013 | 55 | 2013 |
| The role of fullerene hemispheres in determining structural features of finite-length carbon nanotubes T Yumura, S Bandow, K Yoshizawa, S Iijima The Journal of Physical Chemistry B 108 (31), 11426-11434, 2004 | 52 | 2004 |
| A Non‐Radical Mechanism for Methane Hydroxylation at the Diiron Active Site of Soluble Methane Monooxygenase K Yoshizawa, T Yumura Chemistry–A European Journal 9 (10), 2347-2358, 2003 | 52 | 2003 |
| Electronic structures and band gaps of chains and sheets based on phenylacetylene units M Kondo, D Nozaki, M Tachibana, T Yumura, K Yoshizawa Chemical physics 312 (1-3), 289-297, 2005 | 50 | 2005 |
| Unprecedented Reversible Redox Process in the ZnMFI—H2 System Involving Formation of Stable Atomic Zn0 A Oda, H Torigoe, A Itadani, T Ohkubo, T Yumura, H Kobayashi, Y Kuroda Angewandte Chemie International Edition 51 (31), 7719-7723, 2012 | 48 | 2012 |
| Direct imaging of intracage structure in titanium-carbide endohedral metallofullerene Y Sato, T Yumura, K Suenaga, H Moribe, D Nishide, M Ishida, ... Physical Review B 73 (19), 193401, 2006 | 47 | 2006 |
| An Important Factor in CH4 Activation by Zn Ion in Comparison with Mg Ion in MFI: The Superior Electron-Accepting Nature of Zn2+ A Oda, H Torigoe, A Itadani, T Ohkubo, T Yumura, H Kobayashi, Y Kuroda The Journal of Physical Chemistry C 118 (28), 15234-15241, 2014 | 39 | 2014 |
| Potential for C−H Activation in CH4 Utilizing a CuMFI-Type Zeolite as a Catalyst A Itadani, H Sugiyama, M Tanaka, T Ohkubo, T Yumura, H Kobayashi, ... The Journal of Physical Chemistry C 113 (17), 7213-7222, 2009 | 39 | 2009 |
| Mechanism for the formaldehyde to formic acid and the formic acid to carbon dioxide conversions mediated by an iron-oxo species T Yumura, T Amenomori, Y Kagawa, K Yoshizawa The Journal of Physical Chemistry A 106 (4), 621-630, 2002 | 39 | 2002 |
