| 論文 議事録 |
著書 | 雑誌 | 招待講演 依頼講演 セミナー |
国際学会 | 国内学会 | 各種助成 （学外） |
| 40 | 5 | 6 | 11 | 41 | 45 | 15 |
赤字太字 で示されている業績は自分が主要な役割を果たしたものです。 |
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| 論文 ・ 議事録 （すべて査読あり） | ||||
| 40. | A Theoretical Procedure Based on Classical Electrostatics and Density Functional Theory for Screening Non-Square-Shaped Mixed-Valence Complexes for Logic Gates in Molecular Quantum-Dot Cellular Automata | |||
| Ken Tokunaga, Fumiya Odate, Daiya Asami, Keishiro Tahara, and Mitsunobu Sato | Bull. Chem. Soc. Jpn. | (2021) | ||
| 94, 397 (7 pages) | ||||
| 39. | Visible-Light-Induced Synthesis of 1,2,3,4-Tetrahydroquinolines via Formal [4+2] Cycloaddition of Acyclic α,β-Unsaturated Amides and Imides with N,N-Dialkylanilines | |||
| Kennosuke Itoh, Shun-ichi Nagao, Ken Tokunaga, Shigeto Hirayama, Fumika Karaki, Takaaki Mizuguchi, Kenichiro Nagai, Noriko Sato, Mitsuaki Suzuki, Masashi Hashimoto, Hideaki Fujii | Chem. Eur. J. | (2021) | ||
| 27, 5171 (9 pages) | ||||
| 38. | Synthesis of 1,2,5‐Oxadiazinane Derivatives by Photochemical Cycloaddition of Nitrones with Diaminomethanes | |||
| Kennosuke Itoh, Atsushi Takashino, Atsushi Ohtsuka, Mizuki Kobe, Shunsuke Sawamura, Ryo Kato, Shigeto Hirayama, Fumika Karaki, Takaaki Mizuguchi, Noriko Sato, Ken Tokunaga, Yasunori Toda, Hiroyuki Suga, Hitoshi Ishida, Hideaki Fujii | ChemPhotoChem | (2020) | ||
| 4, 388 (5 pages) | ||||
| 37. | Molecular dynamics study of a solvation motor in a Lennard-Jones solvent | |||
| Ken Tokunaga and Ryo Akiyama | Phys. Rev. E | (2019) | ||
| 100, 062608 (8 pages) | ||||
| 36. | Zwitterionic Mixed Valency: Internalizing Counteranions into a Biferrocenium Framework toward Molecular Expression of Half Cells in Quantum Cellular Automata | |||
| Keishiro Tahara, Nazuna Terashita, Ken Tokunaga, Shiomi Yabumoto, Jun-ichi Kikuchi, Yoshiki Ozawa, and Masaaki Abe | Chem. Eur. J. | (2019) | ||
| 25, 13728-13738 (11 pages) | ||||
| 35. | Charge-Separated Mixed Valency in an Unsymmetrical Acceptor-Donor-Donor Triad Based on Diarylboryl and Triarylamine Units | |||
| Keishiro Tahara, Haruya Koyama, Mamoru Fujitsuka, Ken Tokunaga, Xu Lei, Tetsuro Majima, Jun-Ichi Kikuchi, Yoshiki Ozawa, and Masaaki Abe | J. Org. Chem. | (2019) | ||
| 84, 8910-8920 (11 pages) | ||||
| 34. | Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary | |||
| Kennosuke Itoh, Fumiya Odate, Takuma Karikomi, Keishi Obe, Tsutomu Miyamori, Hideaki Kamiya, Kenji Yoza, Kenichiro Nagai, Hideaki Fujii, Hiroyuki Suga, and Ken Tokunaga | RSC Adv. | (2019) | ||
| 9, 12365-12369 (5 pages) | ||||
| 33. | Lewis Acid Catalysis in Intermolecular [2+2] Photocycloaddition of Coumarin-3-carboxamide Bearing 2-Oxazolidinone Auxiliary with n-Propyl Vinyl Ether and Vinyl Pivalate | |||
| Kennosuke Itoh, Junya Matsuura, Hideaki Kamiya, Ryuki Kudo, Yuki Takahashi, Yuta Hashimoto, Kenji Yoza, Ken Tokunaga, Hideaki Fujii, and Hiroyuki Suga | Heterocycles | (2018) | ||
| 97, 591-603 (13 pages) | ||||
| 32. | Basic Cell Size Dependence of Displacement for a Solvation Motor in a Lennard-Jones Solvent | |||
| Ken Tokunaga and Ryo Akiyama | J. Comput. Chem. Jpn. | (2018) | ||
| 17, 80-84 (5 pages) | ||||
| 31. | Structural Determination, DFT Calculation, and Formation Mechanism of Ethyl 2-Cyano-3-alkoxypent-2-enoates Synthesized via Ru-Mediated Coupling Reaction between α,β-Unsaturated Acetals and Cyanoacetate | |||
| Hidetake Seino, Takumi Kondo, Chihiro Mochizuki, Ken Tokunaga, Motowo Yamaguchi, and Mitsunobu Sato | Bull. Chem. Soc. Jpn. | (2017) | ||
| 90, 79 (9 pages) | ||||
| 30. | Construction of Hydrogen-bonded Networks of 1',1'''-Biboronic Acids of Biferrocene and Biferrocenium Cation | |||
| Keishiro Tahara, Tetsuhiro Akita, Shiomi Yabumoto, Nazuna Terashita, Shohei Katao, Jun-ichi Kikuchi, and Ken Tokunaga | J. Organomet. Chem. | (2016) | ||
| 805, 139 (9 pages) | ||||
| 29. | Tuning of Intramolecular Charge Transfer Properties and Charge Distributions in Ferrocene-appended Catechol Derivatives by Chemical Substitution | |||
| Keishiro Tahara, Shogo Akehi, Tetsuhiro Akita, Shohei Katao, Jun-ichi Kikuchi, and Ken Tokunaga | Dalton Trans. | (2015) | ||
| 44, 14635 (11 pages) | ||||
| 28. | Electrochemistry, Charge Transfer Properties, and Theoretical Investigation of a Macrocyclic Boronate Dimer of 1',1'''-Biferrocenediboronic Acid and Related Ferrocenyl Boronate Complexes | |||
| Keishiro Tahara, Nazuna Terashita, Tetsuhiro Akita, Shohei Katao, Jun-ichi Kikuchi, and Ken Tokunaga | Organometallics | (2015) | ||
| 34, 299 (10 pages) | ||||
| 27. | Construction of covalent- and hydrogen-bonded assemblies from 1',1'''-biferrocenediboronic acid as a new organobimetallic building block | |||
| Keishiro Tahara, Tetsuhiro Akita, Shohei Katao, Ken Tokunaga, and Jun-ichi Kikuchi | Dalton Trans. | (2014) | ||
| 43, 9579 (7 pages) | ||||
| 26. | Bond Overlap Population Analysis on Through-Space Electron Transfer in [3n]Cyclophanes (n = 2 - 5) | |||
| Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Thin Solid Films | (2014) | ||
| 554, 170 (5 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 25. | Intermolecular Interaction Modulation on Pentacene Clusters by Introduction of a Neighboring Charged Pentacene | |||
| Shigekazu Ohmori, Ken Tokunaga, and Hiroshi Kawabata | Thin Solid Films | (2014) | ||
| 554, 95 (4 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 24. |
Hydrogenation Effect on Hole-Transport Properties of Fullerene C70: A Density Functional Theory Study on C70H4, C70H6, and C70H8 |
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| Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Mol. Cryst. Liq. Cryst. | (2013) | ||
| 579, 5 (5 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 23. | Tuning of Fullerene Materials for Organic Solar Cells: A Theoretical Study on the Properties of Defect Fullerenes C59 and C69 | |||
| Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Jpn. J. Appl. Phys | (2012) | ||
| 51, 10NE35 (4 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 22. | A Model Study of the Conversion of Energy from a Chemical Reaction into Motion through a Solvation Motor | |||
| Ken Tokunaga and Ryo Akiyama | J. Phys. Soc. Jpn. | (2012) | ||
| 81, SA019 (9 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 21. | Forces in EDO-TTF: Theoretical study of isotope and charge effects on vibronic coupling | |||
| Ken Tokunaga | Physics Procedia | (2011) | ||
| 14, 152 (12 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 20. | Mono-Hydrogenation of Fullerene Materials: A Density Functional Theory Study on the Properties of Fullerene Mono-Hydrides C60H and C70H | |||
| Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Mol. Cryst. Liq. Cryst. | (2011) | ||
| 539, 252 (8 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 19. | Rotational Effect on the One-Dimensional Pi-Conjugated Polymer | |||
| Shigekazu Ohmori, Ken Tokunaga, and Hiroshi Kawabata | Mol. Cryst. Liq. Cryst. | (2011) | ||
| 539, 247 (5 pages) | ||||
| 18. | Molecular Design of High-Performance Fullerene Materials: A Theoretical Study on Hole-Transport Property of Fullerene Hydride C70H2 | |||
| Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Jpn. J. Appl. Phys. | (2011) | ||
| 50, 01BA03 (5 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 17. | Metal Dependence of Signal Transmission through Molecular Quantum-Dot Cellular Automata (QCA): A Theoretical Study on Fe, Ru, and Os Mixed-Valence Complexes | |||
| Ken Tokunaga | Materials ( Access Free ) |
(2010) | ||
| 3, 4277 (14 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 16. | Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer | |||
| Shigekazu Ohmori, Hiroshi Kawabata, Ken Tokunaga, and Hiroto Tachikawa | Jpn. J. Appl. Phys. | (2010) | ||
| 49, 01AD07 (4 pages) | ||||
| 15. | On the Difference in Electronic Properties between C60 and C60X2 | |||
| Ken Tokunaga | Chem. Phys. Lett. | (2009) | ||
| 476, 253 (5 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 14. | Theoretical Study on Possible Usage of Difluoromethylene Fullerenes as Electron-Transport Materials | |||
| Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Thin Solid Films | (2009) | ||
| 518, 477 (4 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 13. | Molecular Design of High Performance Fused Porphyrin 0ne-Dimensional Wire:A DFT Study | |||
| Shigekazu Ohmori, Hiroshi Kawabata, Ken Tokunaga, and Hiroto Tachikawa | Thin Solid Films | (2009) | ||
| 518, 901 (5 pages) | ||||
| 12. | Signal Transmission through Molecular Quantum-Dot Cellular Automata: A Theoretical Study on Creutz-Taube Complexes for Molecular Computing | |||
| Ken Tokunaga | Phys. Chem. Chem. Phys. | (2009) | ||
| 11, 1474 (10 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 11. | Active center induced by vibronic interactions in V2O5/SiO2 | |||
| Tohru Sato, Naoya Iwahara, Ken Tokunaga, Kazuyoshi Tanaka, and Tsunehiro Tanaka | Top. Catal. | (2009) | ||
| 52, 808 (5 pages) | ||||
| 10. | Improvement in Hole-Transport Property of Fullerene Materials by Hydrogenation: A Density Functional Theory Study on Fullerene Hydride C60H4 | |||
| Ken Tokunaga, Hiroshi Kawabata, and Kazumi Matsushige | Jpn. J. Appl. Phys. | (2008) | ||
| 47, 3638 (5 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 9. | A density functional theory study on the hole transfer in fullerene hydride C60H2 | |||
| Ken Tokunaga, Shigekazu Ohmori, Hiroshi Kawabata, and Kazumi Matsushige | Jpn. J. Appl. Phys. | (2008) | ||
| 47, 1089 (5 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 8. | Molecular design of high performance poly-fused thiophene radical cations: A DFT study | |||
| Hiroshi Kawabata, Ken Tokunaga, Shigekazu Ohmori, Kazumi Matsushige, and Hiroto Tachikawa | Jpn. J. Appl. Phys. | (2008) | ||
| 47, 420 (5 pages) | ||||
| 7. | Vibronic coupling in naphthalene anion: Vibronic coupling density analysis for totally symmetric modes | |||
| Tohru Sato, Ken Tokunaga, and Kazuyoshi Tanaka | J. Phys. Chem. A | (2008) | ||
| 112, 758 (10 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 6. | Symmetry of electronic and geometric structures of metallofullerene M@C74 (M=Be, Mg, Ca, Sr, and Ba) in terms of vibronic coupling | |||
| Tohru Sato, Yasutaka Kuzumoto, Ken Tokunaga, Hiroshi Imahori, and Kazuyoshi Tanaka | Chem. Phys. Lett. | (2007) | ||
| 442, 47 (6 pages) | ||||
| 5. | Calculation of vibronic coupling constant and vibronic coupling density analysis | |||
| Ken Tokunaga, Tohru Sato, and Kazuyoshi Tanaka | J. Mol. Struct. | (2007) | ||
| 838, 116 (8 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 4. | Vibronic coupling in benzene cation and anion: Vibronic coupling and frontier electron density in Jahn-Teller molecules | |||
| Ken Tokunaga, Tohru Sato, and Kazuyoshi Tanaka | J. Chem. Phys. | (2006) | ||
| 124, 154303 (10 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 3. | Vibronic coupling in cyclopentadienyl radical: A method for calculation of vibronic coupling constant and vibronic coupling density analysis | |||
| Tohru Sato, Ken Tokunaga, and Kazuyoshi Tanaka | J. Chem. Phys. | (2006) | ||
| 124, 024314 (12 pages) | ||||
| 内容解説： 要旨（HTML） | ||||
| 2. | Jahn-Teller effect in circulenes | |||
| Tohru Sato, Yasutaka Kuzumoto, Ken Tokunaga, Hideaki Tanaka, and Hiroshi Imahori |
Adv. Quantum Chem. | (2003) | ||
| 44, 239 (17 pages) | ||||
| 1. | Jahn-Teller effect in coronene monoanion: A comparative study with corannulene monoanion | |||
| Tohru Sato, Hideaki Tanaka, Atsushi Yamamoto, Yasutaka Kuzumoto, and Ken Tokunaga |
Chem. Phys. | (2003) | ||
| 287, 91 (12 pages) | ||||
| ↑上へ | ||||
| 著書 （英語・分担執筆） | ||||
| 5. |
Hydrogenation of Fullerene C60: Material Design of Organic Semiconductors by Computation |
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| Ken Tokunaga | Hydrogenation ( Access Free ) |
(2012) | ||
| Chapter 13 (18 pages) | ||||
| 4. |
Computational Design of New Organic Materials: Properties and Utility of Methylene-Bridged Fullerenes C60 |
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| Ken Tokunaga | Handbook on Fullerene | (2012) | ||
| Chaper 17 (21 pages) | ||||
| 3. |
Quantum-Chemical Design of New Organic Semiconductors: Molecular Design Guidelines for Fullerene Derivatives |
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| Ken Tokunaga | Organic Semiconductors | (2011) | ||
| Chaper 4 (23 pages) | ||||
| 2. |
Quantum-Chemical Design of Molecular Quantum-Dot Cellular Automata (QCA): A New Approach from Frontier Molecular Orbitals |
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| Ken Tokunaga | Cellular Automata ( Access Free ) |
(2011) | ||
| Chaper 7 (24 pages) | ||||
| 1. |
Vibronic Coupling Constant and Vibronic Coupling Density (in Springer Series in Chemical Physics 97,"The Jahn-Teller Effect - Fundamentals and Implications", H. Koeppel et al. (Eds)) |
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| Tohru Sato, Ken Tokunaga, Naoya Iwahara, Katsuyuki Shizu, and Kazuyoshi Tanaka | The Jahn-Teller Effect | (2009) | ||
| 97, 99 (31 pages) | ||||
| ↑上へ | ||||
| 雑誌への掲載（日本語） | ||||
| 6. | フラーレン材料にホールを流す 〜C70H2の構造と電子状態〜 | |||
| 徳永 健、川畑 弘 | 月刊 「化学工業」 ６月号 | (2012) | ||
| ６３巻、６１（５ページ） | ||||
| 5. | 量子ドットセルオートマトン −新しい仕組みのデバイスをめざして | |||
| 徳永 健 | 月刊 『化学』 １月号 | (2011) | ||
| ６６巻、６６（２ページ） | ||||
| 4. | フラーレンC60から作る新素材 −フッ化メチレンフラーレンC60(CF2)n− | |||
| 徳永 健、川畑 弘 | 『月刊 機能材料』 ７月号 | (2010) | ||
| ３０巻、７５（７ページ） | ||||
| 3. | フラーレンC60誘導体材料における電子輸送：その本質の理解に基づく材料設計 | |||
| 徳永 健、川畑 弘 | 『月刊 機能材料』 ３月号 | (2009) | ||
| ２９巻、８３（６ページ） | ||||
| 2. | Review 「有機電子材料の量子化学的設計 −フラーレン誘導体」 | |||
| 徳永 健 | 月刊 『未来材料』 ９月号 | (2008) | ||
| ８巻、２４（７ページ） | ||||
| 1. | ２００７年の化学・注目の論文 「分子ジャンクションのキャリアが見えた！」 | |||
| 徳永 健 | 月刊 『化学』 １１月号 | (2007) | ||
| ６２巻、６１（２ページ） | ||||
| ↑上へ | ||||
| 招待講演・依頼講演 | ||||
| 11. | Molecular Dynamics Simulation of Macroparticle driven by Chemical Reaction in a Liquid | |||
| International Congress on Pure & Applied Chemistry (ICPAC) Yangon 2019 | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Invited Talk | (2019) | ||
| 10. | Motion of Macroparticle driven by Chemical Reaction in a Liquid: Molecular Dynamics Simulation of Solvation Motor | |||
| International Congress on Pure & Applied Chemistry (ICPAC) Langkawi 2018 | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Invited Talk | (2018) | ||
| 9. | Molecular Computing by Tetranuclear Mixed-Valence Complexes: A Theoretical Study on Relationship between Molecular Structure and Device Operation of Molecular Quantum-Dot Cellular Automata | |||
| International Congress on Pure & Applied Chemistry (ICPAC) 2018 | ||||
| 〇 Ken Tokunaga | Invited Talk | (2018) | ||
| 8. | A Theoretical Study on Quantum-Dot Cellular Automata made of Tetranuclear Mixed-valence Metal Complexes: Relationship between Molecular Structure and Device Operation | |||
| 7th Annual World Congress of Nano Science and Technology-2017 (Nano S&T-2017) | ||||
| 〇 Ken Tokunaga | Invited Talk | (2017) | ||
| 7. | 混合原子価錯体を用いた量子ドットセルオートマトン：錯体の構造とデバイス動作の関係 | |||
| 兵庫県立大学「フロンティア機能性物質創製センター」オープンセミナー(第 26 回) | ||||
| 〇 徳永 健 | セミナー | (2017) | ||
| 6. | Simulation of Static and Dynamic Behavior of Molecular Quantum-Dot Cellular Automata made of Fe and Ru Mixed-Valence Complexes | |||
| 253rd American Chemical Society National Meeting & Exposition | ||||
| 〇 Ken Tokunaga | Invited Talk | (2017) | ||
| 5. | Solvation Motor : A New and Simple Model of Motor Proteins | |||
| Energy Materials and Nanotechnology Meeting on Computation and Theory ( EMN Meeting on Computation and Theory 2016) | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Invited Talk | (2016) | ||
| 4. | Theoretical Studies of Quantum-dot Cellular Automata based on Biferrocenediboronic Acid | |||
| Energy Materials and Nanotechnology Qingdao Meeting 2016 ( EMN Qingdao Meeting 2016 ) | ||||
| 〇 Ken Tokunaga | Invited Talk | (2016) | ||
| 3. | Theoretical Design of Quantum-dot Cellular Automata based on Mixed-Valence Metal Complexes | |||
| Energy Materials and Nanotechnology Meeting on Computation and Theory ( EMN Meeting on Computation and Theory 2015) | ||||
| 〇 Ken Tokunaga | Invited Talk | (2015) | ||
| 2. | 有機半導体材料の量子化学的設計 〜フラーレンC60誘導体〜 | |||
| 長崎県工業技術センター 材料分子設計研究会講演会 | ||||
| 〇 徳永 健 | 口頭 | (2009) | ||
| 1. | 有機電子材料の量子化学的設計 〜水素化フラーレン〜 | |||
| 長崎県工業技術センター 計算化学研究会 第7回講演会 | ||||
| 〇 徳永 健 | 口頭 | (2008) | ||
| ↑上へ | ||||
| 発表 （国際学会・国際シンポジウム） | ||||
| 41. | Displacement of Solvation Motor in Infinite System | |||
| 12th Mini Symposium on Liquids (MSL 2018) | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Poster | (2018) | ||
| 40. | Motion and Energy Conversion of Solvation Motor driven by a Reaction on the Surface | |||
| The 16th International Symposium on Advanced Technology (ISAT-16) | ||||
| 〇 Ken Tokunaga Shota Nagasawa, Takahiro Kajiki, Yoichiro Ito, and Ryo Akiyama | Poster | (2017) | ||
| 39. | Molecular Quantum-Dot Cellular Automata made of Biferrocenium Complexes: Prediction of Device Operation using Electrostatic Potential | |||
| The 16th International Symposium on Advanced Technology (ISAT-16) | ||||
| 〇 Ken Tokunaga, Fumiya Odate, Keishiro Tahara, and Mitsunobu Sato | Poster | (2017) | ||
| 38. | Simulation of Static and Dynamic Behavior of Majority Logic Gate made of Tetranuclear Ru Complex | |||
| 12th International Conference on Nano-Molecular Electronics ( ICNME2016 ) | ||||
| 〇 Ken Tokunaga and Yusuke Takeno | Poster | (2016) | ||
| 37. | Dynamic Simulations of Quantum-Dot Cellular Automata Constructed from Creutz-Taube Squares | |||
| 11th International Conference on Nano-Molecular Electronics ( ICNME2014 ) | ||||
| 〇 Ken Tokunaga, Masako Sakakibara, and Yuji Tsuchiya | Poster | (2014) | ||
| 36. | Hole-Transport Properties of Defect Fullerenes C69: A Theoretical Study on Single and Triplet States | |||
| The 6th World Conference on Photovoltaic Energy Conversion 2014 ( WCPEC6 ) | ||||
| 〇 Ken Tokunaga | Poster | (2014) | ||
| 35. | Dynamic simulations of carrier transport on the surface of fullerene C60 and hydrogenated fullerenes C60H2 | |||
| International Conference on Diamond and Carbon Materials 2014 | ||||
| 〇 Ken Tokunaga, Yasuhiro Takemoto, and Soichi Sakamoto | Poster | (2014) | ||
| 34. | Theoretical Study of Solvation Effect on the Electron Transfer in Cyclophane | |||
| The 4th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies ( EM-NANO 2013 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2013) | ||
| 33. | Long-range Modulation of the Inter-molecular Interaction in the Naphthalene Cluster by Introducing of the Charged Naphthalene | |||
| The 4th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies ( EM-NANO 2013 ) | ||||
| 〇 Shigekazu Ohmori, Ken Tokunaga, and Hiroshi Kawabata | Poster | (2013) | ||
| 32. | A Theoretical Study on Electron Transfer in [32](1,4)-Cyclophane | |||
| 7th International Conference on Molecular Electronics and Bioelectronics ( M & BE 7 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2013) | ||
| 31. | Inter-molecular interaction of fullerene cluster in the electric field | |||
| 7th International Conference on Molecular Electronics and Bioelectronics ( M & BE 7 ) | ||||
| 〇 Shigekazu Ohmori, Ken Tokunaga, and Hiroshi Kawabata | Poster | (2013) | ||
| 30. | Mechanical Work by Chemical Reaction on the Surface of Solvation Motor | |||
| 2013 Mini Statistical Mechanics Meeting | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Poster | (2013) | ||
| 29. | A Theoretical Study on Carrier Transfer in [33](1,3,5)-Cyclophane | |||
| 10th International Conference on Nano-Molecular Electronics ( ICNME 2012 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2012) | ||
| 28. | Control of the Inter-Molecular Interaction in the Pentacene Cluster on the Charged State Calculation | |||
| 10th International Conference on Nano-Molecular Electronics ( ICNME 2012 ) | ||||
| 〇 Shigekazu Ohmori, Ken Tokunaga, and Hiroshi Kawabata | Poster | (2012) | ||
| 27. | Hole-Transport Property of Hydrogenated Fullerenes: A Theoretical Study on Reorganization Energy and Electronic Coupling of C60H2 | |||
| The 11th International Symposium on Advanced Technology ( ISAT-Special ) | ||||
| 〇 Ken Tokunaga, Masashi Ikeda, and Takumi Saito | Poster | (2012) | ||
| 26. | Non-equilibrium Dynamics of a Solvation Motor driven by a Reaction on the Surface | |||
| 13th International Symposium on Colloidal and Molecular Electrooptics ( ELOPTO 2012 ) | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Poster | (2012) | ||
| 25. |
Hydrogenation Effect on Hole-Transport Properties of Fullerene C70: A Density Functional Theory Study on C70H4 and C70H6 |
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| International Conference on Organic Materials for Electronics and Photonics 2012 ( KJF 2012 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2012) | ||
| 24. | Conversion Process of Chemical Reaction into Directed Motion through a Solvation Motor | |||
| 2012 Mini Statistical Mechanics Meeting | ||||
| 〇 Ken Tokunaga and Ryo Akiyama | Poster | (2012) | ||
| 23. |
Carrier Transport Property of Defect Fullerenes C59 and C69: A Theoretical Study Comparing with C60H and C70H |
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| 21st International Photovoltaic Science and Engineering Conference ( PVSEC-21 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2011) | ||
| 22. | A Model Study of Energy Conversion from Chemical Reaction into Mechanical Work through Solvation | |||
| 5th International Mini-Symposium on Liquids ( MSL 2011 ) | ||||
| 〇 Ken Tokunaga, Takuya Furumi, and Ryo Akiyama | Poster | (2011) | ||
| 21. | UV-Vis Absorption and Electric Conductivity of Conducting Polymer: A Laboratory Activity in General Chemistry Course at University | |||
| 2010 International Chemical Congress of Pacific Basin Societies ( Pacifichem 2010 ) | ||||
| 〇 Shuto Yamada, Ken Tokunaga, Ko Takehara, and Nobuyoshi Koga | Poster | (2010) | ||
| 20. | Isotope Effect on Vibronic Coupling of (EDO-TTF-d0)n (n=0, +1): A Theoretical Study | |||
| 9th International Conference on Nano-Molecular Electronics ( ICNME 2010 ) | ||||
| 〇 Ken Tokunaga | Poster | (2010) | ||
| 19. | Conversion Process of Chemical Reaction into Mechanical Work through Solvation Change | |||
| 11th Granada Seminar on Computational and Statistical Physics | ||||
| 〇 Ken Tokunaga, Takuya Furumi, and Ryo Akiyama | Poster | (2010) | ||
| 18. | Density Functional Theory Study of the Hydrogenation Effect on Fullerenes C60 and C70 | |||
| Korea-Japan Forum 2010 on Organic Materials for Electronics and Photonics ( KJF2010 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2010) | ||
| 17. | Rotational effect on the one-dimensional pi-conjugated polymer | |||
| Korea-Japan Forum 2010 on Organic Materials for Electronics and Photonics ( KJF2010 ) | ||||
| 〇 Shigekazu Ohmori, Ken Tokunaga, and Hiroshi Kawabata | Poster | (2010) | ||
| 16. |
Hydrogenation Effect on Hole-Transport Property of Fullerene Materials: A Density Functional Theory Study on Fullerene Hydrides C70H2 |
|||
| 2010 International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies ( EM-NANO 2010 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2010) | ||
| 15. | Hole and Electron Transport Properties of Fullerene C60 Materials | |||
| International Symposium on "Molecular Theory for Real Systems" | ||||
| 〇 Ken Tokunaga | Poster | (2010) | ||
| 14. | Computational Design of High Performance 10 Nanometer Scale's Hole Transport Materials: Oligo- and Poly- Fused Porphyrins | |||
| 8th International Conference on Nano-Molecular Electronics ( ICNME 2008 ) | ||||
| 〇 Hiroshi Kawabata, Shigekazu Ohmori, Ken Tokunaga, and Hiroto Tachikawa | Poster | (2008) | ||
| 13. | Research on Possible Usage of Difluoromethylene Fullerene as Electron-Transport Material | |||
| 8th International Conference on Nano-Molecular Electronics ( ICNME 2008 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, and Hiroshi Kawabata | Poster | (2008) | ||
| 12. | Theoretical Study on the Hole-Transport Property of Fullerene Hydrides C60H2 and C60H4 | |||
| Nagasaki Symposium on Nano-Dynamics 2008 ( NSND 2008 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, Hiroshi Kawabata, and Kazumi Matsushige | Poster | (2008) | ||
| 11. | Hole Transfer Mechanism of Fused Porphyrin Radical Cations: A DFT Study | |||
| Nagasaki Symposium on Nano-Dynamics 2008 ( NSND 2008 ) | ||||
| Shigekazu Ohmori, Ken Tokunaga, 〇 Hiroshi Kawabata, Kazumi Matsushige, and Hiroto Tachikawa | Poster | (2008) | ||
| 10. | Molecular design of high performance condensed porphyrin radical cations: A DFT study | |||
| International Symposium on "Molecular Theory for Real Systems" | ||||
| 〇 Hiroshi Kawabata, Ken Tokunaga, Shigekazu Ohmori, Kazumi Matsushige, and Hiroto Tachikawa | Poster | (2007) | ||
| 9. | Hole transfer in fullerene hydrides C60H2: A DFT study | |||
| International Symposium on "Molecular Theory for Real Systems" | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, Hiroshi Kawabata, and Kazumi Matsushige | Poster | (2007) | ||
| 8. | Molecular design of one-dimensional condensed wire: A DFT study | |||
| Organic Materials Technology Exhibition 2007 / International Conference on Organic Materials Technology 2007 ( ORGATECHNO 2007 ) | ||||
| 〇 H. Kawabata, Ken Tokunaga, Shigekazu Ohmori, Kazumi Matsushige, and Hiroto Tachikawa | Poster | (2007) | ||
| 7. | A DFT study on the hole transfer in fullerene hydrides | |||
| Organic Materials Technology Exhibition 2007 / International Conference on Organic Materials Technology 2007 ( ORGATECHNO 2007 ) | ||||
| 〇 Ken Tokunaga, Shigekazu Ohmori, Hiroshi Kawabata, and Kazumi Matsushige | Poster | (2007) | ||
| 6. | Calculation of vibronic coupling constant and vibronic coupling density analysis | |||
| 18th International Symposium on the Jahn-Teller Effect | ||||
| 〇 Ken Tokunaga, Tohru Sato, and Kazuyoshi Tanaka | Oral | (2006) | ||
| 5. | Cauclation of vibronic coupling constant and vibronic coupling density analysis | |||
| Japan-France Advanced School | ||||
| 〇 Ken Tokunaga, Tohru Sato, and Kazuyoshi Tanaka | Poster | (2006) | ||
| 4. | Vibronic coupling and frontier electron density in benzene radicals | |||
| 12th International Congress of Quantum Chemistry (ICQC 2006) | ||||
| 〇 Ken Tokunaga, Tohru Sato, and Kazuyoshi Tanaka | Poster | (2006) | ||
| 3. | Calculation of vibronic coupling and vibronic coupling density | |||
| 12th International Congress of Quantum Chemistry (ICQC 2006) | ||||
| Tohru Sato, 〇 Ken Tokunaga, and Kazuyoshi Tanaka | Poster | (2006) | ||
| 2. | Vibronic coupling in cyclopentadienyl radical and benzene cation | |||
| 2nd Japan - France Bilateral Symposium | ||||
| 〇 Ken Tokunaga, Tohru Sato, and Kazuyoshi Tanaka | Oral | (2005) | ||
| 1. | Estimation and application of vibronic integral | |||
| France - Japan Meeting | ||||
| 〇 Ken Tokunaga | Oral | (2003) | ||
| ↑上へ | ||||
| 発表 （国内学会・国内シンポジウム） 注 | ||||
| 45. | 溶媒和モーターの分子動力学シミュレーション：流体力学的効果と熱発生効果の寄与の解析 | |||
| 日本物理学会第 75 回年次大会 | ||||
| ○ 徳永 健、秋山 良 | − | (2020) | ||
| 44. | 溶媒和モーターの分子動力学シミュレーション：システムサイズ依存性とモーターサイズ依存性 | |||
| 第33回分子シミュレーション討論会 | ||||
| ○ 徳永 健、佐相剛史、秋山 良 | ポスター | (2019) | ||
| 43. | Molecular dynamics study of a solvation motor in a Lennard-Jones solvent | |||
| 13th Mini-Symposium on Liquids (MSL2019) | ||||
| ○ 徳永 健、秋山 良 | 口頭＋ポスター | (2019) | ||
| 42. | 溶媒和構造の変化で駆動する大粒子の分子動力学シミュレーション | |||
| 日本物理学会第 74 回年次大会 | ||||
| ○ 徳永 健、秋山 良 | 口頭 | (2019) | ||
| 41. | 溶媒和変化によって駆動される自走粒子の分子シミュレーション | |||
| 研究会「凝縮系の理論化学」 | ||||
| 徳永 健、○ 秋山 良 | ポスター | (2019) | ||
| 40. | 溶媒和変化による自走粒子の分子動力学シミュレーション | |||
| 「水和とATPエネルギー」研究会 | ||||
| ○ 徳永 健、秋山 良 | 口頭 | (2019) | ||
| 39. | ビフェロセニウム錯体を用いた分子デバイスの動作と静電ポテンシャルモデルによる動作予測に関する理論的研究 | |||
| 日本化学会第 98 春季年会 | ||||
| ○ 徳永 健、大舘史弥、田原圭志朗、佐藤光史 | 口頭 | (2018) | ||
| 38. | 混合原子価状態を有するビフェロセニウム錯体を用いた量子ドットセルオートマトンの動作に関する理論的研究 | |||
| 分子アーキテクトニクス研究会 第8回研究会 | ||||
| ○ 大舘史弥、徳永 健、田原圭志朗、佐藤光史 | ポスター | (2017) | ||
| 37. | System Size Dependence of the Motion of Solvation Motor | |||
| 11th Mini-Symposium on Liquids (MSL2017) | ||||
| ○ 徳永 健、秋山 良 | ポスター | (2017) | ||
| 36. | 混合原子価状態を有する環状4核ルテニウム錯体の電子状態と分子デバイスへの応用に関する理論的研究 | |||
| 日本化学会第 97 春季年会 | ||||
| ○ 徳永 健 | 口頭 | (2017) | ||
| 35. | Theoretical Studies on Performance of Quantum-dot Cellular Automata made of Mixed-Valence Biferrocenium Complexes | |||
| 日本化学会第 97 春季年会 | ||||
| ○ Fumiya Odate, Ken Tokunaga, Keishiro Tahara, Mitsunobu Sato | ポスター | (2017) | ||
| 34. | 環状4核フェロセンボロン酸エステルの電子状態と分子デバイスへの応用に関する理論的研究 | |||
| 日本化学会第 96 春季年会 | ||||
| ○ 徳永 健、田原 圭志朗 | 口頭 | (2016) | ||
| 33. | Theoretical Studies on Performance of Molecular Device made of Biferrocenium Dimer | |||
| 日本化学会第 96 春季年会 | ||||
| 大舘 史弥、○ 徳永 健 | ポスター | (2016) | ||
| 32. | ビフェロセニウム1次元鎖におけるホール移動に関する理論的研究 | |||
| 錯体化学会第 65 回討論会 | ||||
| ○ 徳永 健 | ポスター | (2015) | ||
| 31. | Energy Conversion Efficiency of Solvation Motor driven by a Reaction on the Motor Surface | |||
| The 9th Mini-Symposium on Liquids (MSL 2015) | ||||
| ○ 徳永 健、秋山 良 | ポスター | (2015) | ||
| 30. | ビフェロセニウム１次元鎖における電気信号の伝達速度と強度に関する理論的研究 | |||
| 日本化学会 第 95 春季年会 | ||||
| ○ 徳永 健、山口 涼太、松田 貴裕 | ポスター | (2015) | ||
| 29. | Fe, Ru, Os 原子を有する非対称型量子ドットセルオートマトンの理論的動作解析 | |||
| 錯体化学会第 64 回討論会 | ||||
| ○ 徳永 健、松田 貴裕、山口 涼太 | ポスター | (2014) | ||
| 28. | 四核ルテニウム錯体を用いた量子ドットセルオートマトンデバイスの理論的動作解析 | |||
| 日本化学会第 94 春季年会 | ||||
| ○ 徳永 健、榊原 雅子 | ポスター | (2014) | ||
| 27. | 溶媒和モーターにおける化学反応から仕事へのエネルギー変換効率 | |||
| 日本物理学会 第68回年次大会 | ||||
| ○ 徳永 健、秋山 良 | ポスター | (2013) | ||
| 26. | 溶媒和モーターのエネルギー論 | |||
| 第26回分子シミュレーション討論会 | ||||
| ○ 徳永 健、秋山 良 | ポスター | (2012) | ||
| 25. | Conditions for Large Displacement of a Solvation Motor | |||
| 6th Mini-Symposium on Liquids | ||||
| ○ 徳永 健、秋山 良 | ポスター | (2012) | ||
| 24. | 溶媒和構造変化で駆動される一方向運動の分子動力学シミュレーション | |||
| 日本物理学会 第67回年次大会 | ||||
| ○ 徳永 健、秋山 良 | ポスター | (2012) | ||
| 23. | 溶媒和モーターにおける化学反応の仕事への変換 | |||
| 日本物理学会 第66回年次大会 | ||||
| ○ 徳永 健、古海 拓哉、秋山 良 | ポスター | (2011) | ||
| 22. | 溶媒和構造の変化を利用した微小なモーター分子のシミュレーション | |||
| 第24回分子シミュレーション討論会 | ||||
| 徳永 健、古海 拓哉、○ 秋山 良 | 口頭 | (2010) | ||
| 21. | Molecular Dynamics Simulation of Conversion from Chemical Reaction to Mechanical Work via Solvent （溶媒和を通した化学反応の仕事への変換過程のシミュレーション） | |||
| 第48回日本生物物理学会年会 | ||||
| 徳永 健、古海 拓哉、○ 秋山 良 | ポスター | (2010) | ||
| 20. | 分子型QCAデバイスにおける信号伝達の金属原子依存性に関する理論的研究 | |||
| 日本化学会第90春季年会 | ||||
| 〇 徳永 健 | ポスター | (2010) | ||
| 19. | 一般化学における導電性高分子の電界重合実験と特性評価 | |||
| 日本化学会第90春季年会 | ||||
| 〇 山田 秀人、徳永 健、竹原 公、古賀 信吉 | ポスター | (2010) | ||
| 18. | 分子型量子ドットセルオートマトン（QCA）の動的スイッチ挙動に関する理論的研究 | |||
| 日本化学会第89春季年会 | ||||
| 〇 徳永 健 | ポスター | (2009) | ||
| 17. | フラーレン誘導体C60X2の電子輸送特性 | |||
| 第36回フラーレン・ナノチューブ総合シンポジウム | ||||
| 〇 徳永 健 | ポスター | (2009) | ||
| 16. | 縮退系・非縮退系における振電相互作用〜振電相互作用定数の評価と解析〜 | |||
| 第14回理論化学シンポジウム | ||||
| 〇 徳永 健 | ポスター | (2008) | ||
| 15. | ルテニウム錯体を用いた分子デバイスのスイッチ挙動に関する理論的研究 | |||
| 日本化学会第88春季年会 | ||||
| 〇 徳永 健 | ポスター | (2008) | ||
| 14. | 水素化によるフラーレン材料のホール輸送特性の改良：C60H4に関する理論的研究 | |||
| 第34回フラーレン・ナノチューブ総合シンポジウム | ||||
| 〇 徳永 健、川畑 弘、松重 和美 | ポスター | (2008) | ||
| 13. | 酸化バナジウムにおける光触媒作用の発現機構と振電相互作用 | |||
| 日本コンピュータ化学会2007秋季年会 | ||||
| 〇 岩原 直也、徳永 健、佐藤 徹、田中 庸裕、田中 一義 | ポスター | (2007) | ||
| 12. |
混合原子価錯体を用いた分子デバイス： ルテニウム二核錯体の外部電荷に対する応答についての理論的研究 |
|||
| 第57回錯体化学討論会 | ||||
| 〇 徳永 健 | ポスター | (2007) | ||
| 11. | M@C74の構造と振電相互作用 | |||
| 第33回フラーレン・ナノチューブ総合シンポジウム | ||||
| 佐藤 徹、〇 徳永 健、田中 一義 | ポスター | (2007) | ||
| 10. | ホール輸送材料の量子化学的設計：水素化フラーレン | |||
| 第33回フラーレン・ナノチューブ総合シンポジウム | ||||
| 〇 徳永 健、大森 滋和、川畑 弘、松重 和美 | ポスター | (2007) | ||
| 9. |
シクロペンタジエニルラジカルにおける振電相互作用 -振電相互作用定数の計算と振電相互作用密度を用いた解析- |
|||
| 日本化学会第86春季年会 | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | 口頭 | (2006) | ||
| 8. | Isotope Effect on Vibronic Coupling of Cyclopentadienyl Radical | |||
| 第3回福井謙一記念研究センターシンポジウム | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | ポスター | (2005) | ||
| 7. | 金属内包フラーレンCa@C74における内包金属の運動 | |||
| 第29回フラーレン・ナノチューブ総合シンポジウム | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | ポスター | (2005) | ||
| 6. | シクロペンタジエニルラジカルとベンゼンカチオンにおける振電相互作用 | |||
| 日本化学会第85春季年会 | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | ポスター | (2005) | ||
| 5. | フラーレンC60モノアニオンの振電相互作用定数 | |||
| 第28回フラーレン・ナノチューブ総合シンポジウム | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | ポスター | (2005) | ||
| 4. | Vibronic Coupling in Cyclopentadienyl Radical | |||
| 第2回福井謙一記念研究センターシンポジウム | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | ポスター | (2004) | ||
| 3. | 対称性の破れのない波動関数を用いた振電相互作用積分の評価 | |||
| 第8回理論化学討論会 | ||||
| 〇 徳永 健、佐藤 徹、田中 一義 | ポスター | (2004) | ||
| 2. | M@C74の対称性と電子構造 | |||
| 第1回福井謙一記念研究センターシンポジウム | ||||
| 佐藤 徹, 葛本 恭崇, 〇 徳永 健、今堀 博 | ポスター | (2003) | ||
| 1. | フラーレンC80の対称性と電子構造 | |||
| 第24回フラーレン・ナノチューブ総合シンポジウム | ||||
| 〇 徳永 健、佐藤 徹、今堀 博 | ポスター | (2003) | ||
| 注 | 発表者が特定の組織内に限られているような学会・シンポジウム・発表は除いています。 | |||
| ↑上へ | ||||
| 各種助成 | ||||
| 15. | 科学研究費補助金 （平成２９−３０年度） | |||
| 徳永 健 （代表者） | 若手研究Ｂ | (2017-18) | ||
| 14. | 科学研究費補助金 （平成２９年度） | |||
| 秋山 良 （代表者）、徳永 健 （分担者） | 基盤研究Ｃ | (2017) | ||
| 13. | 科学研究費補助金 （平成２５−２６年度） | |||
| 徳永 健 （代表者） | 若手研究Ｂ | (2013-14) | ||
| 12. | 公益財団法人 中部電気利用基礎研究振興財団 （REFEC） 平成２４年度助成事業 | |||
| 徳永 健 | 出版助成 | (2012) | ||
| 11. | 科学研究費補助金 （平成２４年度） | |||
| 並木 則和 （代表者）、徳永 健 （分担者） | 基盤研究Ｃ | (2012) | ||
| 10. | 科学研究費補助金 （平成２４年度） | |||
| 秋山 良 （代表者）、徳永 健 （分担者） | 新学術領域研究 | (2012) | ||
| 9. | 分子科学研究所 （大学共同利用機関法人 自然科学研究機構） 平成２４年度通年 | |||
| 徳永 健 | 協力研究 | (2012) | ||
| 8. | 科学研究費補助金 （平成２３年度） | |||
| 秋山 良 （代表者）、徳永 健 （分担者） | 新学術領域研究 | (2011) | ||
| 7. | 分子科学研究所 （大学共同利用機関法人 自然科学研究機構） 平成２２年度後期 | |||
| 徳永 健 | 協力研究 | (2010) | ||
| 6. | 公益財団法人 中部電気利用基礎研究振興財団 （REFEC） 平成２２年度助成事業 | |||
| 徳永 健 | 出版助成 | (2010) | ||
| 5. | 分子科学研究所 （大学共同利用機関法人 自然科学研究機構） 平成２２年度前期 | |||
| 徳永 健 | 協力研究 | (2010) | ||
| 4. |
京都大学 学術情報メディアセンター 大型計算機システム 平成２０年度スーパーコンピュータ共同研究制度（若手研究者奨励枠） |
|||
| 徳永 健 | 計算助成 | (2008) | ||
| 3. | (財) 関西エネルギー・リサイクル科学研究振興財団（KRF） 平成１９年度助成事業 | |||
| 徳永 健 | 研究成果の出版助成 | (2007) | ||
| 2. | 京都大学ベンチャー・ビジネス・ラボラトリー 平成１９年度若手研究費助成制度 | |||
| 徳永 健 | 研究助成 | (2007) | ||
| 1. |
京都大学 学術情報メディアセンター 大型計算機システム 平成１９年度スーパーコンピュータ共同研究制度（若手研究者奨励枠） |
|||
| 徳永 健 | 計算助成 | (2007) | ||
| ↑上へ | ||||