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
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著書、解説、ほか
  1. 高橋英明: QM/MM法と溶液の理論の融合による凝縮系の化学過程の自由エネルギー計算(4)凝縮系の第一原理の方法論について, 分子シミュレーション研究会会誌 “アンサンブル”, Vol. 11, No. 1, 28-31 (分子シミュレーション研究会, 2009).

  2. 高橋英明: QM/MM法と溶液の理論の融合による凝縮系の化学過程の自由エネルギー計算(3)凝縮系の第一原理の方法論について, 分子シミュレーション研究会会誌 “アンサンブル”, Vol. 10, No. 4, 25-28 (分子シミュレーション研究会, 2008).

  3. 高橋英明: QM/MM法と溶液の理論の融合による凝縮系の化学過程の自由エネルギー計算(2)凝縮系の第一原理の方法論について, 分子シミュレーション研究会会誌 ”アンサンブル”, Vol. 10, No. 3, 27-30 (分子シミュレーション研究会, 2008).

  4. 高橋英明: QM/MM法と溶液の理論の融合による凝縮系の化学過程の自由エネルギー計算(1)凝縮系の第一原理の方法論について, 分子シミュレーション研究会会誌 “アンサンブル”, Vol. 10, No. 2, 25-29 (分子シミュレーション研究会, 2008).

  5. Masayoshi Nakano, Hitoshi Fukui, Hiroshi Nagai, Takuya Minami, Ryohei Kishi, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, and Edith Botek: Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences, AIP Conference Proceedings, 1108, 43-53 (AIP, 2009).

  6. 中野 雅由, 岸 亮平, 高橋 英明: 量子化学計算による水素結合ネットワーク系の非線形光学効果の解明と物質設計への展開, 大垣一成, 江頭靖幸, 渡会仁, 松村道雄, 中辻啓二編著:「みず学への誘い」, 第1章, 第5節 p.52-61(大阪大学出版会, 2008)

  7. Hideaki Takahashi, Hajime Ohno, Ryohei Kishi, Shin-ichi Furukawa, and Masayoshi Nakano: Computation of the Reduction Free Energy of Coenzyme in Water: A Novel Approach within the Framework of the QM/MM-ER Method, edited by G. Maroulis and T. Simos: “Selected papers from ICNAAM2007 and ICCMSE2007, AIP conference proceedings”, 1046, 56-59 (AIP, 2008).

  8. Masayoshi Nakano, Ryohei Kishi, Akihito Takebe, Masahito Nate, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, and Edith Botek: Spin State Dependence of Second Hyperpolarizabilities of Zethrenes, edited by G. Maroulis and T. Simos: “Selected papers from ICNAAM2007 and ICCMSE2007, AIP conference proceedings”, 1046, 15-18 (AIP, 2008).

  9. Hideaki Takahashi, Nobuyuki Matubayasi, Masayoshi Nakano, and Masaru Nakahara: A Quantum Chemical Approach to Free Energy Calculation for Chemical Reactions in Condensed System: Combination of a Quantum Chemical Method with a Theory of Statistical Mechanics, “Challenges and Advances in Computational Chemistry and Physics 6”, 455-505, (Springer, 2008).

  10. Hideaki Takahashi, Nobuyuki Matubayasi, and Masayoshi Nakano: Exploration of the reaction path in condensed system, Research Trend, 12, 59-91 (2007)

  11. Frederic Castet, Benoît Champagne, Masayoshi Nakano and Hideaki Takahashi: Multi-scale simulations for materials and life sciences, edited by G. Maroulis and T. Simos: CP963, Vol.1, Computational Methods in Sciece and Engineering, Theory and Computation: Old Problems and New Challenges, AIP, 350-378 (2007)

  12. Masayoshi Nakano, Ryohei Kishi, Akihito Takebe, Masahito Nate, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, and Edith Botek: Second Hyperpolarizabilities (γ) of 1,3-Dipole Systems: Diradical Character Dependence of γ, edited by G. Maroulis and T. Simos: CP963, Vol.1, Computational Methods in Sciece and Engineering, Theory and Computation: Old Problems and New Challenges, AIP, 102-105 (2007)

  13. Hideaki Takahashi, Hajime Ohno, Ryohei Kishi, Shin-ichi Furukawa, and Masayoshi Nakano: Computation of the Reduction Free Energy of Coenzyme in Water: A Novel Approach within the Framework of the QM/MM-ER Method, edited by G. Maroulis and T. Simos: CP963, Vol.1, Computational Methods in Sciece and Engineering, Theory and Computation: Old Problems and New Challenges, AIP, (2007) in press

  14. Masayoshi Nakano, Ryohei Kishi, Akihito Takebe, Masahito Nate, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, and Edith Botek: Spin State Dependence of Second Hyperpolarizabilities of Zethrenes, edited by G. Maroulis and T. Simos: CP963, Vol.3, Computational Methods in Sciece and Engineering, Theory and Computation: Old Problems and New Challenges, AIP, (2007) in press

  15. Hideaki Takahashi, Nobuyuki Matubayasi, Masayoshi Nakano, and Masaru Nakahara: A quantum chemical approach to free energy calculation for chemical reactions in condensed system: combination of a quantum chemical method with a theory of statistical mechanics, Challenges and Advances in Computational Chemistry and Physics, Springer, in press

  16. Atoms, Molecules and clusters in electric fields, theoretical approaches to the calculation of electric polarizability, ed. by George Maroulis, Series in Computational, Numerical and Mathematical Methods in Sciences and Engineering - Vol. 1, Imperial College Press, 2006, pp.679 Chapter 10, Third-order nonlinear optical properties of open-shell and/or charged molecular systems, M. Nakano pp.337-404

  17. デンドリティック高分子 多分岐構造が拡げる高機能化の世界  監修:青井啓悟、柿本雅明 岸亮平、太田克、中野雅由「デンドリティック高分子の光エネルギー移動と非線形光学特性のモデル計算」第1編3節3.1 p.60-p.70 NTS(2005)10月