| Budget Amount *help |
¥3,610,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥510,000)
Fiscal Year 2009: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2008: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2007: ¥1,400,000 (Direct Cost: ¥1,400,000)
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| Research Abstract |
In this study, I have three successful results for the investigation of polynuclear metal complexes. (1) The theoretical calculation regime for the large metal complexes, such as MX and MMX complexes, was established and the mechanisms of their physical properties were elucidated. (2) The electronic structures and the nature of polynuclear active sites of metalloprotaines, such as 4Fe4S and Cu2O2, were elucidated. (3) The approximately spin-projected energy derivative method was established for the expectation of their accurate structures with lower computational costs.
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