| Project/Area Number |
09044109
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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 Field |
Physical chemistry
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| Research Institution | Okazaki National Research Institutes |
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Principal Investigator |
NAKAMURA Hiroki Inst.for Molecular Science, Okazaki National Research Institutes Professor, 分子科学研究所, 教授 (10010935)
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| Co-Investigator(Kenkyū-buntansha) |
MIL'NIKOV G.V. Inst.of Macrokinetics Researcher, 研究員
USHAKOV V.G. Inst.of Chemical Physics Researcher, 研究員
OSHEROV V.I. Inst.of Chemical Physics Professor, 教授
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| Project Period (FY) |
1997 – 1998
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| Project Status |
Completed (Fiscal Year 1998)
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| Budget Amount *help |
¥4,100,000 (Direct Cost: ¥4,100,000)
Fiscal Year 1998: ¥1,900,000 (Direct Cost: ¥1,900,000)
Fiscal Year 1997: ¥2,200,000 (Direct Cost: ¥2,200,000)
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| Keywords | nonadiabatic / chemical reaction dynamics / tunneling / resonsnce / 半古典力学 / 指数関数モデル / 共鳴 |
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| Research Abstract |
1)Concerning the exponential potential model which is expected to be a good candidate of a unified theory to cover both Landau-Zener-Stueckelberg type and Rosen-Zener-Demkov type nonadiabatic transitions, we have accomplished analytical works to a very good extent (published papers 1, 2, and 5).
2)With use of the Zhu-Nakamura theory, very sharp Feshbach type resonances in the col1inear 0 + HO* OH + 0 reaction have been nicely reproduced and analyzed (published paper 3).
3)Quantum dynamics of the hydrogen transfer reaction Cl + HBr * HCI + Br have been calculated with use of the hyperspherical coordinate approach, and the reaction mechanisms were clarified in terms of the potential ridge and vibrationally nonadiabatic transitions (published paper 4).
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