中野研究室 研究業績
Research Group of Quantum Chemical Engineering
(NAKANO LABORATORY)
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大阪大学 大学院基礎工学研究科 物質創成専攻 化学工学領域
量子化学工学グループ 中野研究室
論文 国際会議講演
招待・依頼講演		 著書、解説、ほか
2008
  1. M. Nakano, R. Kishi, H. Fukui, T. Minami, H. Takahashi, T. Kubo, K. Kamada, K. Ohta, B. Champagne, E. Botek: Theoretical Study on Nonlinear Optical Properties of Diradical Molecular Systems, Frontiers in Chemistry and Interface with Biology and Physics, Osaka Univ., Japan, June (2008).

  2. R. Kishi, T. Minami, H. Fukui, H. Takahashi, M. Nakano: An initio MO-CI based quantum master equation approach to exciton dynamics in supermolecular systems, Frontiers in Chemistry and Interface with Biology and Physics, Osaka Univ., Japan, June (2008).

  3. M. Nakano, H. Fukui, H. Nagai, T. Minami, K. Yoneda, R. Kishi, H. Takahashi, T. Kubo, K. Kamada, K. Ohta, B. Champagne, E. Botek: Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences, ICCMSE 2008, Hotel Belvedere Imperial, Hersonissos, Crete, Greece, September (2008).

  4. T. Minami, H. Fukui, H. Nagai, K. Yoneda, R. Kishi, H. Takahashi, M. Nakano: Quantum Master Equation Approach to Exciton Recurrence Motion in A Ring-Shaped Aggregate Complex Induced by Circular-Polarized Laser Field, ICCMSE 2008, Hotel Belvedere Imperial, Hersonissos, Crete, Greece, September (2008).

  5. H. Takahashi, Y. Iwata, R. Kishi, M. Nakano: A Novel Quantum Chemical Approach to the Computation of the Solvation Free Energy of a Biological Molecule with Structural Flexibility, ICCMSE 2008, Hotel Belvedere Imperial, Hersonissos, Crete, Greece, September (2008).

  6. Masayoshi Nakano, Ryohei Kishi, Hitoshi Fukui, Takuya Minami Kyohei Yoneda, Hideaki Takahashi: Theoretical Study on Open-Shell Nonlinear Optical Molecular Systems and a Development of a Novel Computational Scheme of Exciton Dynamics, AsiaNANO 2008, Biopolis in Singapore, November (2008).

  7. Masayoshi Nakano: Seminar in NangYang Technological University, Third-Order Nonlinear Optcal Properties of Open-Shell Systems: Diradical Character and Spin State Dependences, NangYang Technological University, Taiwan, November (2008).
2007
  1. Theoretical and Computational Design of Open-Shell Nonlinear Optical Systems, M.Nakano, Multi-scale and Large-scale Simulation in DoD Materials Science, 14-15 June 2007, MITRE Cooporation, McLean, VA, USA (Invited talk)

  2. M. Nakano, Theoretical Study on Open-Shel Nonlinear Optical Molecular Systems, ACPTCC (The 3rd Asian Pacific Conference on Theoretical & Computational Chemistry) Jiuhua Spa and Resort, Beijing, Sep. 22-25, (Invited talk)

  3. Masayaoshi Nakano, Ryohei Kishi, Akihito Takebe, Masahito Nate, Hideaki Takahashi, Takahashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne and Edith Botek, Second Hyperpolarizabilities (γ) of 1,3-Dipole Systems: Diradical Charecter Dependence of γ, ICCMSE 2007, Corfu, Greece, 2007. Sep. 25-30 (Invited talk Sep. 26)

  4. Masayoshi NAKANO, ICCMSE 2007, Spin State Dependence of Second Hyperpolarizabilities of Zethrenes, Corfu, Greece, 2007. Sep. 25-30, (Invited talk Sep. 26)
2006
  1. H. Takahashi, H. Ohno, Y. Iwata, S. Furukawa, M. Nakano, Quantum Chemical Calculation of the Free Energy Change for the One-Electron Reduction of a Cofactor in Aqueous Solution, Materials oriented Quantum chemistry, Satellite Symposium of XIIth International Congress of Quantum Chemistry, Senri Life Science Center, Osaka, 2006, May 27-29 (Invited talk)

  2. Masayoshi NAKANO, Theoretical Study on Open-shell Systems, Symposium in the Graduate School of Engineering Science Organic Materials and Carbon Nano Science: Development of Molecular Electronics, June 5, 2006 Osaka university (Solicited talk)

  3. Ryohei Kishi, Suguru Ohta, Hideaki Takahashi, Shin-ichi Furukawa, Masayoshi Nakano, Ab initio MO-CI based quantum master equation approach to exciton dynamics of double fan-shaped dendrimers, The International Conference of Science and Technology of Synthetic Metals (ICSM) 2006, Dublin, Ireland, July 2-7, 2006 (Oral)

  4. Masayoshi NAKANO, Theoretical Srudy on exciton dtynamics of dendritic systems, International Symposium on Frontiers on Nanoscale Science Technology & Education, Aug. 15-19, 2006 Cochin, Taj Malabar hotel, India (Invited talk)

  5. M.Nakano, Theoretical Study on Nonlinear Optical Property of Open-Shell Molecules, Seminar in Namur University, “An afternoon trip in nonlinear optics. Experiment,simulation, and interpretation” Sep. 22, 2006 (Invited talk)

  6. Masayoshi Nakano, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, Edith Botek and Kizashi Yamaguchi, Theoretical Study on the Second hyperpolarizabiliies of Diphenalenyl Radical Systems, International conference of computational methods in science and engineering 2006 (ICCMSE), Greece, 27 Oct.-1 Nov. 2006, 31 Oct. (Invited talk)

  7. Hideaki Takahashi, Ryohei Kishi, Suguru Ohta, Shin-ichi Furukawa, and Masayoshi Nakano, A novel quantum chemical approach to the free energy calculation for the one-electron reduction of coenzyme in solution and biological system, International conference of computational methods in science and engineering 2006 (ICCMSE), Greece, 27 Oct.-1 Nov. 2006, 31 Oct. (Oral)
2005
  1. Shin-ichi FURUKAWA, Tomoshige NITTA and Masayoshi NAKANO: Development of a Non-Equilibrium Molecular Dynamics Technique Suitable for Permeation Simulations of Gas Mixtures through Membranes, The 7th International Conference on Separation Science and Technology -Between KOREA and JAPAN-, Korea, 2005. 8. 17-19 (MS120)

  2. Shin-ichi FURUKAWA, Tomoshige NITTA and Masayoshi NAKANO: Molecular Simulation Studies toward High Performance Inorganic Membranes, China/USA./Japan Joint Chemical Engineering Conference, China, 2005. 10. 11-13 (SE10B-3)

  3. Hideaki Takahashi, Hajime Ohno, Ryohei Kishi, Suguru Ohta, Shin-ichi, Furukawa Masayoshi Nakano, Free Energy Calculation for the Reaction that Proceeds via Singlet Biradical Transition State: Dehydration Reaction of Alcohol in Hot Water, International conference of computational methods in science and engineering 2005 (ICCMSE), Greece, 21-26 Oct. 2005 (22 Oct. solicited talk)

  4. M. Nakano, Theoretical Study on Open-shell Systems, International conference of computational methods in science and engineering 2005 (ICCMSE), Greece, 21-26 Oct. 2005 (24 Oct. invited talk)

  5. M. Nakano, R. Kishi, N. Nakagawa, T. Kubo, K. Kamada, K. Ohta, B. Champagne, E. Botek, S. Yamada, K. Yamaguchi, Theoretical study on the second hyperpolarizabilities of diradical molecular systems, Pacifichem 2005, Hawaii Dec. 17, (Oral 622)