Studies on Molecular Dynamics and Chemical Reactivity
| Project/Area Number |
02044155
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| Research Category |
Grant-in-Aid for international Scientific Research
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| Allocation Type | Single-year Grants |
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| Section | Joint Research |
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| Research Institution | Okazaki National Research Institutes, Institute for Molecular Science |
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Principal Investigator |
NAKAMURA Hiroki Okazaki National Research Institutes Institute for Molecular Science, 分子科学研究所, 教授 (10010935)
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| Co-Investigator(Kenkyū-buntansha) |
LEVINE Raphael D. The Fritz Haber Research Center for Molecular Dynamics, The Habrew University of, 教授
OHMINE Iwao Okazaki National Research Institutes Institute for Molecular Science, 分子科学研究所, 助教授 (60146719)
HANAZAKI Ichiro Okazaki National Research Institutes Institute for Molecular Science, 分子科学研究所, 教授 (00028250)
MOROKUMA Keiji Okazaki National Research Institutes Institute for Molecular Science, 分子科学研究所, 教授 (40111083)
LEVINE R.D. ヘブライ大学, フリッツ・ハーバー分子動力学研究センター, 教授
井口 洋夫 岡崎国立共同研究機構, 分子科学研究所, 所長 (00100826)
岩井 正博 岡崎国立共同研究機構, 分子科学研究所, 助手 (00193714)
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| Project Period (FY) |
1990 – 1992
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| Project Status |
Completed (Fiscal Year 1992)
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| Budget Amount *help |
¥5,500,000 (Direct Cost: ¥5,500,000)
Fiscal Year 1992: ¥2,000,000 (Direct Cost: ¥2,000,000)
Fiscal Year 1991: ¥1,500,000 (Direct Cost: ¥1,500,000)
Fiscal Year 1990: ¥2,000,000 (Direct Cost: ¥2,000,000)
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| Keywords | Chemical Reaction Dynamics / Irreversible Relaxation Process / Projection Operator Method / Potential Energy Surface / Photodissociation of Molecule / Generalized Variational Principle / Time-dependent Schrodinger equation / Relaxation of Excited Molecule / ポテンシャルエネルギ-曲面 / 時間依存シュレディンガ-方程式 / 溶液内反応 / リ-代数 / 位相空間動力学 / 励起分子 / 分子動力学のシミュレ-ション / 溶液反応 |
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| Research Abstract |
1. Collaborative research
(1) Derivation of a generalized Langevin equation for wave function. The following paper was submitted to J. Chem. Phys. "A generalized Langevin equation for wave function : A stochastic process of probability amplitudes" by K. Someda and R. D. Levine
(2) Application of the generalized variational principle to chemical reaction. The following paper was published : "Variational Principles for reactive collisions based on the generalized Lagrange multiplier method. " M. Baer and H. Nakamura J. Chem. Phys. 96 6565 (1992).
(3) Solution of time-dependent Schrodinger equation.
(4) Molecular photodissociation..
(5) Experimental studies on vibrational modes and relaxation of excited molecules.
2. Joint Symposia - Once in Jerusalem and once in Okazaki.
3. Discussions about future plan of the Japan-Israel Collaboration in molecular science
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Report
(3 results)
Research Products
(6 results)
