| Project/Area Number |
18066009
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Kyoto University |
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Principal Investigator |
SAKAKI Shigeyoshi Kyoto University, 大学院・工学研究科, 教授 (20094013)
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| Co-Investigator(Kenkyū-buntansha) |
NAGASE Shigeri 自然科学研究機構, 分子化学研究所・理論分子科学研究系, 教授 (30134901)
KATO Shigeki 京都大学, 大学院・理学研究科, 教授 (20113425)
TAKATSUKA Kazuo 東京大学, 大学院・総合文化研究科, 教授 (70154797)
TANAKA Hideki 岡山大学, 大学院・自然科学研究科, 教授 (80197459)
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| Project Period (FY) |
2006 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥38,300,000 (Direct Cost: ¥38,300,000)
Fiscal Year 2010: ¥2,800,000 (Direct Cost: ¥2,800,000)
Fiscal Year 2009: ¥10,200,000 (Direct Cost: ¥10,200,000)
Fiscal Year 2008: ¥10,200,000 (Direct Cost: ¥10,200,000)
Fiscal Year 2007: ¥10,200,000 (Direct Cost: ¥10,200,000)
Fiscal Year 2006: ¥4,900,000 (Direct Cost: ¥4,900,000)
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| Keywords | 分子理論 / 実在系 / 理論化学 / ダイナミックス / 分子集合系 / 複合電子系 / 電子状態理論 / 分子動力学法 / 反応動力学 / 溶媒和理論 / 触媒反応機構 / 金属酵素反応 / 電子状態 / 分子動力学 / 高精度化 / 金属酵素 / 反応過程 / 分子機能 / リアル系 / 統計力学 / ダイナミクス / 分子動力学シミュレーション / 量子化学 / 化学反応 / 分子構造 / 電子相関効果 / 物性 |
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| Research Abstract |
When our project "Molecular Theory for Real Systems" started, we held opening symposium by core members on Oct., 2006. After that, we held symposium in each year to summarize our successful results and open them. We held international symposium three times by inviting well-known excellent theoretical/computational chemists from abroad. In the international symposiums, we had many and various chances to present our successful findings and discuss those results with them. To accelerate cooperative works, which is one of important purposes of this project, we held joint seminars between several research groups. Thanks to those activities, we successfully managed this project "Molecular Theory for Real Systems".
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