年別の研究成果
年別の研究成果
- 10 件
検索結果
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2012
Electron donor solvent effects on the (hyper) polarizabilities of a solute presenting singlet diradical character
Takahashi, H., Kubota, K., Fukui, H., Bonness, S., Yoneda, K., Kishi, R., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Nakano, M., 2012, International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009. p. 899-902 4 p. (AIP Conference Proceedings; vol. 1504).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
Open Access2 被引用数 (Scopus) -
One- and two-photon absorptions in open-shell singlet systems
Nakano, M., Yoneda, K., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 2012, International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009. p. 136-142 7 p. (AIP Conference Proceedings; vol. 1504).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
15 被引用数 (Scopus) -
Theoretical aspects on the evaluation and interpretation of the third-order nonlinear optical properties of diradical compounds
Champagne, B., Botek, E., Shimizu, A., Kubo, T., Kamada, K., Ohta, K., Kishi, R., Fukui, H., Takahashi, H. & Nakano, M., 2012, International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009. p. 844-847 4 p. (AIP Conference Proceedings; vol. 1504).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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2009
A novel quantum chemical approach to the computation of the solvation free energy of a biological molecule with structural flexibility
Takahashi, H., Iwata, Y., Kishi, R. & Nakano, M., 2009, Computational Methods in Science and Engineering - Advances in Computational Science, Lectures Presented at the Int. Conference on Computational Methods in Science and Engineering 2008, ICCMSE 2008. p. 338-341 4 p. (AIP Conference Proceedings; vol. 1148 2).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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Quantum master equation approach to exciton recurrence motion in a ring-shaped aggregate complex induced by circular-polarized laser field
Minami, T., Fukui, H., Nagai, H., Yoneda, K., Kishi, R., Takahashi, H. & Nakano, M., 2009, Computational Methods in Science and Engineering - Advances in Computational Science, Lectures Presented at the Int. Conference on Computational Methods in Science and Engineering 2008, ICCMSE 2008. p. 330-333 4 p. (AIP Conference Proceedings; vol. 1148 2).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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2008
Computation of the reduction free energy of coenzyme in water: A novel approach within the framework of the QM/MM-ER method
Takahashi, H., Ohno, H., Kishi, R., Furukawa, S. I. & Nakano, M., 2008, Selected Papers from ICNAAM 2007 and ICCMSE 2007 - Special Presentations Int. Conf. Numerical Analysis and Applied Mathematics 2007 and Int. Conf. Computational Methods in Science and Engineering 2007. p. 56-59 4 p. (AIP Conference Proceedings; vol. 1046).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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Spin state dependence of second hyperpolarizabilities of zethrenes
Nakano, M., Kishi, R., Takebe, A., Nate, M., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 2008, Selected Papers from ICNAAM 2007 and ICCMSE 2007 - Special Presentations Int. Conf. Numerical Analysis and Applied Mathematics 2007 and Int. Conf. Computational Methods in Science and Engineering 2007. p. 15-18 4 p. (AIP Conference Proceedings; vol. 1046).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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2007
Multi-scale simulations for materials and life sciences
Castet, F., Champagne, B., Nakano, M. & Takahashi, H., 2007, Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007. 1 ed. American Institute of Physics Inc., p. 350-378 29 p. (AIP Conference Proceedings; vol. 963, no. 1).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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Multi-scale simulations for materials and life sciences
Castet, F., Champagne, B., Nakano, M. & Takahashi, H., 2007, Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007). 2 ed. American Institute of Physics Inc., p. 285-286 2 p. (AIP Conference Proceedings; vol. 963, no. 2).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
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Second hyperpolarizabilities (γ) of 1,3-dipole systems: Diradical character dependence of γ
Nakano, M., Kishi, R., Takebe, A., Nate, M., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 2007, Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007). 2 ed. p. 102-105 4 p. (AIP Conference Proceedings; vol. 963, no. 2).研究成果: 書籍の章/レポート/Proceedings › 会議への寄与 › 査読
1 被引用数 (Scopus)