Tokunaga Ken
| Center for Promotion of Higher Education Division of Liberal Arts | Professor |
- E-Mail: tokunaga
cc.kogakuin.ac.jp
Career
- Apr. 2020 - Present
Kogakuin University, Center for Promotion of Higher Education, Division of Liberal Arts, Professor - Apr. 2017 - Mar. 2020
Kogakuin University, Division of Liberal Arts, Center for Promotion of Higher Education - Apr. 2013 - Mar. 2017
Kogakuin University, Division of Liberal Arts - Apr. 2011 - Mar. 2013
Kogakuin University, Division of Liberal Arts - Apr. 2010 - Mar. 2011
Kogakuin University, Faculty of Engineering - Oct. 2007 - Mar. 2010
Kyushu University, Center for Research and Advancement in Higher Education - Apr. 2007 - Sep. 2007
Kyoto University, Venture Business Laboratory
Educational Background
- Apr. 2004 - Mar. 2007
Kyoto University, Graduate School of Engineering, Department of Molecular Engineering - Apr. 2002 - Mar. 2004
Kyoto University, Graduate School of Engineering, Department of Molecular Engineering - Apr. 1998 - Mar. 2002
Kyoto University, Faculty of Engineering, School of Industrial Chemistry
IDs
Identifiers
researchmap会員ID：6000013789
J-Global ID：200901089231933513
Research Field
Research theme
Books and other publications
- Handbook on Fullerene: Synthesis, Properties and Applications
2012 - Hydrogenation
2012
9789535107859 - Handbook on Fullerene: Synthesis, Properties and Applications
Nova Science, 2012 - Hydrogenation
InTech, 2012
9789535107859 - Cellular Automata - Innovative Modelling for Science and Engineering
2011
9789533071725 - Organic Semiconductors: Properties, Fabrication and Applications
2011
9781612093918 - Cellular Automata - Innovative Modelling for Science and Engineering
InTech, 2011
9789533071725 - Organic Semiconductors: Properties, Fabrication and Applications
Nova Science, 2011
9781612093918 - The Jahn-Teller Effect - Fundamentals and Implications (Springer Series in Chemical Physics vol.97)
2009
9783642034312 - The Jahn-Teller Effect - Fundamentals and Implications (Springer Series in Chemical Physics vol.97)
Springer, 2009
9783642034312
Paper
- Correction: Anti-schistosomal activity and ADMET properties of 1,2,5-oxadiazinane-containing compound synthesized by visible-light photoredox catalysis.
Kennosuke Itoh; Hiroki Nakahara; Atsushi Takashino; Aya Hara; Akiho Katsuno; Yuriko Abe; Takaaki Mizuguchi; Fumika Karaki; Shigeto Hirayama; Kenichiro Nagai; Reiko Seki; Noriko Sato; Kazuki Okuyama; Masashi Hashimoto; Ken Tokunaga; Hitoshi Ishida; Fusako Mikami; Kofi Dadzie Kwofie; Hayato Kawada; Bangzhong Lin; Kazuto Nunomura; Toshio Kanai; Takeshi Hatta; Naotoshi Tsuji; Junichi Haruta; Hideaki Fujii
RSC medicinal chemistry, 24 Oct. 2024 - Cyclometalated Pt(II) Complex Appending a Pyridyl Ligand with a Benzothienobenzothiophene (BTBT) Unit: Synthesis, Photophysical Properties, and an Unusual Shift of Centered Ligands in Excited States
Keishiro Tahara; Akihito Kobayashi; Mamoru Fujitsuka; Yasuko Osakada; Ken Tokunaga; Takashi Ikeda; Masaaki Abe
Organometallics, 03 Apr. 2024 - Visible-light-Induced synthesis of imidazolidines through formal [3 + 2] cycloaddition of aromatic imines with N,N,N',N'-tetramethyldiaminomethane
Kennosuke Itoh; Nanase Ishii; Atsushi Takashino; Aya Hara; Satoshi Kon; Takaaki Mizuguchi; Fumika Karaki; Shigeto Hirayama; Yoshio Shibagaki; Kenichiro Nagai; Noriko Sato; Ken Tokunaga; Mitsuaki Suzuki; Masashi Hashimoto; Hideaki Fujii
Journal of Photochemistry and Photobiology A: Chemistry, Jan. 2023 - Visible-Light-Induced Formal [3+2] Cycloaddition of α, β-Unsaturated Imides or Amide with N,N,N',N'-Tetramethyldiaminomethane for the Synthesis of 4-Alkyl- and 4-Aryl-1-methyl-2-pyrrolidinones
Kennosuke Itoh; Hideaki Fujii; Sho Ito; Shun-ichi Nagao; Ken Tokunaga; Takaaki Mizuguchi; Fumika Karaki; Shigeto Hirayama; Yoshio Shibagaki; Masashi Hashimoto
HETEROCYCLES, 2022 - 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; Mitsunobu Sato
Bulletin of the Chemical Society of Japan, 15 Feb. 2021, [Reviewed]
Lead - Visible‐Light‐Induced Synthesis of 1,2,3,4‐Tetrahydroquinolines through 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
Chemistry – A European Journal, 21 Jan. 2021, [Reviewed] - 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, Jun. 2020, [Reviewed] - Molecular dynamics study of a solvation motor in a Lennard-Jones solvent
Ken Tokunaga; Ryo Akiyama
Physical Review E, Dec. 2019, [Reviewed] - 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; Masaaki Abe
Chemistry - A European Jornal, Oct. 2019, [Reviewed] - 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; Masaaki Abe
The Journal of Organic Chemistry, May 2019, [Reviewed] - 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; Ken Tokunaga
RSC Advances, Apr. 2019, [Reviewed] - Lewis Acid Catalysis in Intermolecular [2+2] Photocycloaddition of Coumarin-3-carboxamide bearing 2-Oxazolidinone Auxiliary with Vinyl Ether
Kennosuke Itoh; Junya Matsuura; Hideaki Kamiya; Ryuki Kudo; Yuki Takahashi; Yuta Hashimoto; Kenji Yoza; Ken Tokunaga; Hideaki Fujii; Hiroyuki Suga
HETEROCYCLES, May 2018, [Reviewed] - Basic Cell Size Dependence of Displacement for a Solvation Motor in a Lennard-Jones Solvent
Ken Tokunaga; Ryo Akiyama
J. Comput. Chem. Jpn., Mar. 2018, [Reviewed] - 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
Seino, H; Kondo, T; Mochizuki, C; Tokunaga, K; Yamaguchi, M; Sato, M
Bulletin of the Chemical Society of Japan, Jan. 2017, [Reviewed] - Structural Determination, DFT Calculation, and Formation Mechanism of Ethyl 2-Cyano-3-alkoxypent-2-enoates Synthesized via Ru-Mediated Coupling Reaction between alpha, beta-Unsaturated Acetals and Cyanoacetate
Hidetake Seino; Takumi Kondo; Chihiro Mochizuki; Ken Tokunaga; Motowo Yamaguchi; Mitsunobu Sato
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, Jan. 2017, [Reviewed] - Construction of hydrogen-bonded networks of 1 ',1 '''-diboronic acids of biferrocene and biferrocenium cation
Keishiro Tahara; Tetsuhiro Akita; Shiomi Yabumoto; Nazuna Terashita; Shohei Katao; Jun-ichi Kikuchi; Ken Tokunaga
JOURNAL OF ORGANOMETALLIC CHEMISTRY, Mar. 2016, [Reviewed] - 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; Ken Tokunaga
ORGANOMETALLICS, Jan. 2015, [Reviewed] - 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; Ken Tokunaga
DALTON TRANSACTIONS, 2015, [Reviewed] - Intermolecular interaction modulation on pentacene clusters by introduction of a neighboring charged pentacene
Shigekazu Ohmori; Ken Tokunaga; Hiroshi Kawabata
THIN SOLID FILMS, Mar. 2014, [Reviewed] - Bond overlap population analysis on through- space electron transfer in [3(n)] cyclophanes (n=2-5)
Ken Tokunaga; Shigekazu Ohmori; Hiroshi Kawabata
THIN SOLID FILMS, Mar. 2014, [Reviewed] - 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; Jun-ichi Kikuchi
DALTON TRANSACTIONS, 2014, [Reviewed] - Hydrogenation Effect on Hole-Transport Properties of Fullerene C-70: A Density Functional Theory Study on C70H4, C70H6, and C70H8
Ken Tokunaga; Shigekazu Ohmori; Hiroshi Kawabata
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, Sep. 2013, [Reviewed] - Tuning of Fullerene Materials for Organic Solar Cells: A Theoretical Study on the Properties of Defect Fullerenes C-59 and C-69
Ken Tokunaga; Shigekazu Ohmori; Hiroshi Kawabata
JAPANESE JOURNAL OF APPLIED PHYSICS, Oct. 2012, [Reviewed] - Computational design of new organic materials: Properties and utility of methylene-bridged fullerenes C
60
Ken Tokunaga
Handbook on Fullerene: Synthesis, Properties and Applications, Sep. 2012, [Reviewed] - フラーレン材料にホールを流す ～C70H2の構造と電子状態～
2012 - A model study of the conversion of energy from a chemical reaction into motion through a solvation motor
Ken Tokunaga; Ryo Akiyama
Journal of the Physical Society of Japan, 2012, [Reviewed] - Quantum-chemical design of new organic semiconductors: Molecular design guidelines for fullerene derivatives
Ken Tokunaga
Organic Semiconductors: Properties, Fabrication and Applications, Dec. 2011, [Reviewed] - 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
2011 - Conversion process of chemical reaction into mechanical work through solvation change
Ken Tokunaga; Takuya Furumi; Ryo Akiyama
NON-EQUILIBRIUM STATISTICAL PHYSICS TODAY, 2011 - Molecular Design of High-Performance Fullerene Materials: A Theoretical Study on Hole-Transport Property of Fullerene Hydride C70H2
Ken Tokunaga; Shigekazu Ohmori; Hiroshi Kawabata
JAPANESE JOURNAL OF APPLIED PHYSICS, Jan. 2011, [Reviewed] - Rotational Effect on the One-Dimensional pi-Conjugated Polymer
Shigekazu Ohmori; Ken Tokunaga; Hiroshi Kawabata
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2011, [Reviewed] - Mono-Hydrogenation of Fullerene Materials: A Density Functional Theory Study on the Properties of Fullerene Mono-Hydrides C60H and C70H
Ken Tokunaga; Shigekazu Ohmori; Hiroshi Kawabata
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2011, [Reviewed] - Forces in EDO-TTF: Theoretical study of isotope and charge effects on vibronic coupling
Ken Tokunaga
Physics Procedia, 2011, [Reviewed] - 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, Aug. 2010, [Reviewed] - 1P189 Molecular Dynamics Simulation of Conversion from Chemical Reaction to Work via Solvent(Molecular motor,The 48th Annual Meeting of the Biophysical Society of Japan)
Tokunaga Ken; Furumi Takuya; Akiyama Ryo
Seibutsu Butsuri, 2010 - New materials based on fullerene C60: difluoromethylene fullerene C60
Function & materials, 2010 - Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer
Shigekazu Ohmori; Hiroshi Kawabatay; Ken Tokunaga; Hiroto Tachikawa
JAPANESE JOURNAL OF APPLIED PHYSICS, 2010, [Reviewed] - Theoretical study on possible usage of difluoromethylene fullerenes as electron-transport materials
K. Tokunaga; S. Ohmori; H. Kawabata
THIN SOLID FILMS, Nov. 2009 - Molecular design of high performance fused porphyrin one-dimensional wire: A DFT study
Shigekazu Ohmori; Hiroshi Kawabata; Ken Tokunaga; Hiroto Tachikawa
THIN SOLID FILMS, Nov. 2009 - On the difference in electronic properties between fullerene C-60 and C60X2
Ken Tokunaga
CHEMICAL PHYSICS LETTERS, Jul. 2009 - Active Center Induced by Vibronic Interactions in V2O5/SiO2
Tohru Sato; Naoya Iwahara; Ken Tokunaga; Kazuyoshi Tanaka; Tsunehiro Tanaka
TOPICS IN CATALYSIS, Jun. 2009 - Signal transmission through molecular quantum-dot cellular automata: a theoretical study on Creutz-Taube complexes for molecular computing
Ken Tokunaga
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009 - Vibronic Coupling Constant and Vibronic Coupling Density
Tohru Sato; Ken Tokunaga; Naoya Iwahara; Katsuyuki Shizu; Kazuyoshi Tanaka
JAHN-TELLER EFFECT: FUNDAMENTALS AND IMPLICATIONS FOR PHYSICS AND CHEMISTRY, 2009 - Improvement in Hole-Transport Property of Fullerene Materials by Hydrogenation: A Density Functional Theory Study on Fullerene Hydride C60H4
Ken Tokunaga; Hiroshi Kawabata; Kazumi Matsushige
JAPANESE JOURNAL OF APPLIED PHYSICS, May 2008 - A density functional theory study on the hole transfer in fullerene hydride C60H2
Ken Tokunaga; Shigekazu Ohmori; Hiroshi Kawabata; Kazumi Matsushige
JAPANESE JOURNAL OF APPLIED PHYSICS, Feb. 2008 - Molecular design of high performance poly-fused thiophene radical cations: A density functional theory study
Hiroshi Kawabata; Ken Tokunaga; Shigekazu Ohmori; Kazumi Matsushige; Hiroto Tachikawa
JAPANESE JOURNAL OF APPLIED PHYSICS, Jan. 2008 - Vibronic coupling in naphthalene anion: Vibronic coupling density analysis for totally symmetric vibrational modes
Tohru Sato; Ken Tokunaga; Kazuyoshi Tanaka
JOURNAL OF PHYSICAL CHEMISTRY A, Jan. 2008 - Symmetry of the electronic and geometric structures of metallofullerene M@C-74 (M = Be, Mg, Ca, Sr, and Ba) in terms of vibronic coupling
Tohru Sato; Yasutaka Kuzumoto; Ken Tokunaga; Hiroshi Imahori; Kazuyoshi Tanaka
CHEMICAL PHYSICS LETTERS, Jul. 2007 - Calculation of vibronic coupling constant and vibronic coupling density analysis
Ken Tokunaga; Tohru Sato; Kazuyoshi Tanaka
JOURNAL OF MOLECULAR STRUCTURE, Jul. 2007 - 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！」
2007 - Vibronic coupling in benzene cation and anion: Vibronic coupling and frontier electron density in Jahn-Teller molecules
K Tokunaga; T Sato; K Tanaka
JOURNAL OF CHEMICAL PHYSICS, Apr. 2006 - Vibronic coupling in cyclopentadienyl radical: A method for calculation of vibronic coupling constant and vibronic coupling density analysis
T Sato; K Tokunaga; K Tanaka
JOURNAL OF CHEMICAL PHYSICS, Jan. 2006 - Jahn-Teller effect in coronene monoanion: A comparative study with corannulene monoanion
T Sato; H Tanaka; A Yamamoto; Y Kuzumoto; K Tokunaga
CHEMICAL PHYSICS, Feb. 2003 - Jahn-Teller effect in circulenes
T Sato; Y Kuzumoto; K Tokunaga; H Tanaka; H Imahori
ADVANCES IN QUANTUM CHEMISTRY, VOL 44, 2003
MISC
- 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
徳永健; 大舘史弥; 田原圭志朗; 佐藤光史
日本化学会春季年会講演予稿集(CD-ROM), 06 Mar. 2018
http://jglobal.jst.go.jp/public/201802287940886457 - 29aPS-46 Efficiency of energy conversion from chemical reaction into mechanical work by the solvation motor
Tokunaga K.; Akiyama R.
Meeting abstracts of the Physical Society of Japan, 26 Mar. 2013 - フラーレン材料にホールを流す : C₇₀H₂の構造と電子状態
Jun. 2012 - 27aPS-40 Molecular Dynamics Simulations of the Directional Motion of a Solvation Motor
Tokunaga K.; Akiyama R.
Meeting abstracts of the Physical Society of Japan, 05 Mar. 2012 - 26pPSB-50 Conversion Process of Chemical Reaction into Mechanical Work through Solvation Motor
Tokunaga K.; Furumi T.; Akiyama R.
Meeting abstracts of the Physical Society of Japan, 03 Mar. 2011
Lectures, oral presentations, etc.
- 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
17 Mar. 2020 - 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
10 Dec. 2019 - Molecular Dynamics Simulation of Macroparticle driven by Chemical Reaction in a Liquid
Ken Tokunaga; Ryo Akiyama
International Congress on Pure & Applied Chemistry (ICPAC) Yangon 2019, 07 Aug. 2019 - Molecular dynamics study of a solvation motor in a Lennard-Jones solvent
13th Mini-Symposium on Liquids (MSL2019), 29 Jun. 2019 - 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
15 Mar. 2019 - 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
13 Mar. 2019 - 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
11 Mar. 2019 - Motion of Macroparticle driven by Chemical Reaction in a Liquid: Molecular Dynamics Simulation of Solvation Motor
Ken Tokunaga; Ryo Akiyama
International Congress on Pure & Applied Chemistry (ICPAC) Langkawi 2018, 02 Nov. 2018 - Displacement of Solvation Motor in Infinite System
Ken Tokunaga; Ryo Akiyama
12th Mini Symposium on Liquids (MSL 2018), 30 Jun. 2018 - Molecular Computing by Tetranuclear Mixed-Valence Complexes: A Theoretical Study on Relationship between Molecular Structure and Device Operation of Molecular Quantum-Dot Cellular Automata
Ken Tokunaga
International Congress on Pure & Applied Chemistry (ICPAC) 2018, 10 Mar. 2018 - 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
TOKUNAGA Ken
日本化学会第 98 春季年会, Mar. 2018 - 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
大舘史弥; 徳永 健; 田原圭志朗; 佐藤光史
分子アーキテクトニクス研究会 第8回研究会, Dec. 2017 - A Theoretical Study on Quantum-Dot Cellular Automata made of Tetranuclear Mixed-valence Metal Complexes: Relationship between Molecular Structure and Device Operation
TOKUNAGA Ken
7th Annual World Congress of Nano Science and Technology-2017 (Nano S&T-2017), Dec. 2017 - System Size Dependence of the Motion of Solvation Motor
徳永 健; 秋山 良
11th Mini-Symposium on Liquids (MSL2017), Oct. 2017 - Simulation of Static and Dynamic Behavior of Molecular Quantum-Dot Cellular Automata made of Fe and Ru Mixed-Valence Complexes
TOKUNAGA Ken
253rd American Chemical Society National Meeting & Exposition, Apr. 2017 - Theoretical Studies on Performance of Quantum-dot Cellular Automata made of Mixed-Valence Biferrocenium Complexes
TOKUNAGA Ken
日本化学会第 97 春季年会, Mar. 2017 - 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
TOKUNAGA Ken
日本化学会第 97 春季年会, Mar. 2017 - Simulation of Static and Dynamic Behavior of Majority Logic Gate made of Tetranuclear Ru Complex
Ken Tokunaga; Yusuke Takeno
12th International Conference on Nano-Molecular Electronics ( ICNME2016 ), Dec. 2016 - Solvation Motor : A New and Simple Model of Motor Proteins
Ken Tokunaga; Ryo Akiyama
Energy Materials and Nanotechnology Meeting on Computation and Theory ( EMN Meeting on Computation and Theory 2016), Oct. 2016 - Theoretical Studies of Quantum-dot Cellular Automata based on Biferrocenediboronic Acid
TOKUNAGA Ken
Energy Materials and Nanotechnology Qingdao Meeting 2016 ( EMN Qingdao Meeting 2016 ), Jun. 2016 - 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
徳永 健; 田原 圭志朗
日本化学会第 96 春季年会, Mar. 2016 - Theoretical Design of Quantum-dot Cellular Automata based on Mixed-Valence Metal Complexes
TOKUNAGA Ken
Energy Materials and Nanotechnology Meeting on Computation and Theory ( EMN Meeting on Computation and Theory 2015), Nov. 2015 - Dynamic Simulations of Quantum-Dot Cellular Automata Constructed from Creutz-Taube Squares
Ken Tokunaga; Masako Sakakibara; Yuji Tsuchiya
11th International Conference on Nano-Molecular Electronics ( ICNME2014 ), Dec. 2014 - Hole-Transport Properties of Defect Fullerenes C69: A Theoretical Study on Single and Triplet States
TOKUNAGA Ken
The 6th World Conference on Photovoltaic Energy Conversion 2014 ( WCPEC6 ), Oct. 2014 - Dynamic simulations of carrier transport on the surface of fullerene C60 and hydrogenated fullerenes C60H2
Ken Tokunaga; Yasuhiro Takemoto; Soichi Sakamoto
International Conference on Diamond and Carbon Materials 2014, Sep. 2014 - 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
2014 - Theoretical Studies on Device Performance of Quantum-Dot Cellular Automata using Creutz-Taube Square
2014 - Mechanical Work by Chemical Reaction on the Surface of Solvation Motor
2013 - Inter-molecular interaction of fullerene cluster in the electric field
2013 - A Theoretical Study on Electron Transfer in [32](1,4)-Cyclophane
2013 - 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
2013 - Theoretical Study of Solvation Effect on the Electron Transfer in Cyclophane
2013 - Long-range Modulation of the Inter-molecular Interaction in the Naphthalene Cluster by Introducing of the Charged Naphthalene
2013 - Mechanical Work by Chemical Reaction on the Surface of Solvation Motor
2013 Mini Statistical Mechanics Meeting, 2013 - Inter-molecular interaction of fullerene cluster in the electric field
7th International Conference on Molecular Electronics and Bioelectronics ( M & BE 7 ), 2013 - A Theoretical Study on Electron Transfer in [32](1,4)-Cyclophane
7th International Conference on Molecular Electronics and Bioelectronics ( M & BE 7 ), 2013 - 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, 2013 - 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 ), 2013 - 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 ), 2013 - Conversion Process of Chemical Reaction into Directed Motion through a Solvation Motor
2012 - 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
2012 - Conditions for Large Displacement of a Solvation Motor
2012 - Hydrogenation Effect on Hole-Transport Properties of Fullerene C70: A Density Functional Theory Study on C70H4 and C70H6
2012 - Non-equilibrium Dynamics of a Solvation Motor driven by a Reaction on the Surface
2012 - Hole-Transport Property of Hydrogenated Fullerenes: A Theoretical Study on Reorganization Energy and Electronic Coupling of C60H2
2012 - 溶媒和モーターのエネルギー論
2012 - Control of the Inter-Molecular Interaction in the Pentacene Cluster on the Charged State Calculation
2012 - A Theoretical Study on Carrier Transfer in [33](1,3,5)-Cyclophane
2012 - Conversion Process of Chemical Reaction into Directed Motion through a Solvation Motor
The 2012 Berkeley Mini Statistical Mechanics Meeting, 2012 - Molecular Dynamics Simulations of the Directional Motion of a Solvation Motor
日本物理学会 第67回年次大会, 2012 - Conditions for Large Displacement of a Solvation Motor
6th Mini-Symposium on Liquids, 2012 - Hydrogenation Effect on Hole-Transport Properties of Fullerene C70: A Density Functional Theory Study on C70H4 and C70H6
International Conference on Organic Materials for Electronics and Photonics 2012 ( KJF 2012 ), 2012 - Non-equilibrium Dynamics of a Solvation Motor driven by a Reaction on the Surface
13th International Symposium on Colloidal and Molecular Electrooptics ( ELOPTO 2012 ), 2012 - 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 ), 2012 - 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, 2012 - Control of the Inter-Molecular Interaction in the Pentacene Cluster on the Charged State Calculation
10th International Conference on Nano-Molecular Electronics ( ICNME 2012 ), 2012 - A Theoretical Study on Carrier Transfer in [33](1,3,5)-Cyclophane
10th International Conference on Nano-Molecular Electronics ( ICNME 2012 ), 2012 - 溶媒和モーターにおける化学反応の仕事への変換
2011 - A Model Study of Energy Conversion from Chemical Reaction into Mechanical Work through Solvation
2011 - Carrier Transport Property of Defect Fullerenes C59 and C69: A Theoretical Study Comparing with C60H and C70H
2011 - 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, 2011 - A Model Study of Energy Conversion from Chemical Reaction into Mechanical Work through Solvation
5th International Mini-Symposium on Liquids (MSL 2011), 2011 - Carrier Transport Property of Defect Fullerenes C59 and C69: A Theoretical Study Comparing with C60H and C70H
21st International Photovoltaic Science and Engineering Conference (PVSEC-21), 2011 - Hole and Electron Transport Properties of Fullerene C60 Materials
2010 - 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
2010 - フラーレン誘導体C60X2の電子輸送特性
2010 - 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
2010 - Hydrogenation Effect on Hole-Transport Property of Fullerene Materials: A Density Functional Theory Study on Fullerene Hydrides C70H2
2010 - Density Functional Theory Study of the Hydrogenation Effect on Fullerenes C60 and C70
2010 - Rotational Effect on the One-dimensional Pi-conjugated Polymer
2010 - Conversion Process of Chemical Reaction into Mechanical Work through Solvation Change
2010 - 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）
2010 - 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
2010 - Isotope Effect on Vibronic Coupling of (EDO-TTF-d0)n (n=0, +1): A Theoretical Study
2010 - UV-Vis Absorption and Electric Conductivity of Conducting Polymer: A Laboratory Activity in General Chemistry Course at University
2010 - Hole and Electron Transport Properties of Fullerene C60 Materials
International Symposium on "Molecular Theory for Real Systems", 2010 - 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, 2010 - 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, 2010 - 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, 2010 - 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), 2010 - 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), 2010 - Rotational Effect on the One-dimensional Pi-conjugated Polymer
Korea-Japan Forum 2010 on Organic Materials for Electronics and Photonics (KJF2010), 2010 - Conversion Process of Chemical Reaction into Mechanical Work through Solvation Change
11th Granada Seminar on Computational and Statistical Physics, 2010 - 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, 2010 - 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, 2010 - 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), 2010 - 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), 2010 - 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
2009 - 有機半導体材料の量子化学的設計 ～フラーレンC60誘導体～
2009 - 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, 2009 - 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, 2009 - Theoretical Study on the Hole-Transport Property of Fullerene Hydrides C60H2 and C60H4
2008 - Hole Transfer Mechanism of Fused Porphyrin Radical Cations: A DFT Study
2008 - 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
2008 - 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
2008 - 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～
2008 - 有機電子材料の量子化学的設計 ～水素化フラーレン～
2008 - Computational Design of High Performance 10 Nanometer Scale's Hole Transport Materials: Oligo- and Poly- Fused Porphyrins
2008 - Research on Possible Usage of Difluoromethylene Fullerene as Electron-Transport Material
2008 - Theoretical Study on the Hole-Transport Property of Fullerene Hydrides C60H2 and C60H4
Nagasaki Symposium on Nano-Dynamics 2008 (NSND 2008), 2008 - Hole Transfer Mechanism of Fused Porphyrin Radical Cations: A DFT Study
Nagasaki Symposium on Nano-Dynamics 2008 (NSND 2008), 2008 - 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, 2008 - 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, 2008 - 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, 2008 - 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, 2008 - 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), 2008 - Research on Possible Usage of Difluoromethylene Fullerene as Electron-Transport Material
8th International Conference on Nano-Molecular Electronics (ICNME 2008), 2008 - Molecular Design of High Performance Condensed Porphyrin Radical Cations: A DFT Study
2007 - Hole Transfer in Fullerene Hydrides C60H2: A DFT Study
2007 - Molecular Design of One-dimensional Condensed Wire: A DFT Study
2007 - A DFT Study on the Hole Transfer in Fullerene Hydrides
2007 - M@C74の構造と振電相互作用
2007 - ホール輸送材料の量子化学的設計：水素化フラーレン
2007 - 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
2007 - 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
2007 - Molecular Design of High Performance Condensed Porphyrin Radical Cations: A DFT Study
International Symposium on "Molecular Theory for Real Systems", 2007 - Hole Transfer in Fullerene Hydrides C60H2: A DFT Study
International Symposium on "Molecular Theory for Real Systems", 2007 - Molecular Design of One-dimensional Condensed Wire: A DFT Study
Organic Materials Technology Exhibition 2007 / International Conference on Organic Materials Technology 2007 (ORGATECHNO 2007), 2007 - A DFT Study on the Hole Transfer in Fullerene Hydrides
Organic Materials Technology Exhibition 2007 / International Conference on Organic Materials Technology 2007 (ORGATECHNO 2007), 2007 - 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, 2007 - 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, 2007 - 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, 2007 - 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, 2007 - 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－
2006 - Vibronic Coupling and Frontier Electron Density in Benzene Radicals
2006 - Calculation of Vibronic Coupling and Vibronic Coupling Density
2006 - Cauclation of Vibronic Coupling Constant and Vibronic Coupling Density Analysis
2006 - Calculation of Vibronic Coupling Constant and Vibronic Coupling Density Analysis
2006 - 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, 2006 - Vibronic Coupling and Frontier Electron Density in Benzene Radicals
12th International Congress of Quantum Chemistry (ICQC 2006), 2006 - Calculation of Vibronic Coupling and Vibronic Coupling Density
12th International Congress of Quantum Chemistry (ICQC 2006), 2006 - Cauclation of Vibronic Coupling Constant and Vibronic Coupling Density Analysis
Japan-France Advanced School, 2006 - Calculation of Vibronic Coupling Constant and Vibronic Coupling Density Analysis
18th International Symposium on the Jahn-Teller Effect, 2006 - フラーレンC60モノアニオンの振電相互作用定数
2005 - 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
2005 - Vibronic Coupling in Cyclopentadienyl Radical and Benzene Cation
2005 - 金属内包フラーレンCa@C74における内包金属の運動
2005 - Isotope Effect on Vibronic Coupling of Cyclopentadienyl Radical
2005 - 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, 2005 - 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, 2005 - Vibronic Coupling in Cyclopentadienyl Radical and Benzene Cation
2nd Japan - France Bilateral Symposium, 2005 - 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, 2005 - 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, 2005 - 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
2004 - Vibronic Coupling in Cyclopentadienyl Radical
2004 - 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, 2004 - 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, 2004 - フラーレンC80の対称性と電子構造
2003 - Estimation and Application of Vibronic Integral
2003 - M@C74の対称性と電子構造
2003 - 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, 2003 - Estimation and Application of Vibronic Integral
France - Japan Meeting, 2003 - 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, 2003
Works
- 出版助成（公益財団法人 中部電気利用基礎研究振興財団）
Apr. 2012 - Mar. 2013 - 非対称分子型量子ドットセルオートマトンの動作解析と理論設計
2012 - 2012 - 出版助成（公益財団法人 中部電気利用基礎研究振興財団）
Apr. 2010 - Mar. 2011 - 論文査読
Apr. 2010 - Present - 分子型量子ドットセルオートマトンデバイスの動作解析と理論設計
2010 - 2010 - スーパーコンピュータ共同研究制度（若手研究者奨励枠、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）
Apr. 2008 - Mar. 2009 - スーパーコンピュータ共同研究制度（若手研究者奨励枠、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）
Apr. 2007 - Mar. 2008 - 研究成果の出版助成（公益財団法人 関西エネルギー・リサイクル科学研究振興財団）
Apr. 2007 - Mar. 2008 - 若手研究費助成（京都大学ベンチャー・ビジネス・ラボラトリー）
Apr. 2007 - Mar. 2008
Research Themes
- Apr. 2019 - Mar. 2022
タンパク質の異常な拡散係数変化から問われる流体力学半径の意味 - Apr. 2017 - Mar. 2019
スピン量子ドットセルオートマトン論理デバイスの理論的動作解析および設計 - Apr. 2017 - Mar. 2018
弱結合条件下の荷電タンパク質間実効相互作用と相挙動における溶媒分子の役割 - Apr. 2013 - Mar. 2015
量子ドットセルオートマトン論理デバイスの理論的動作解析および設計 - Apr. 2011 - Mar. 2013
溶媒分子が作り出す水の状態変化と水からの反作用 - Apr. 2011 - Mar. 2012
一流体スプレーノズルを用いたアクリルイミド高分子両性電解質液噴霧法による空気浄化
