2010 Fiscal Year Final Research Report
Theoretical studies on magnetic metals by accurate MO calculation for all magnetic parameters
| Project/Area Number |
19750005
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Physical chemistry
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| Research Institution | Osaka University |
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Principal Investigator |
KAWAKAMI Takashi Osaka University, 大学院・理学研究科, 助教 (30321748)
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| Project Period (FY) |
2007 – 2010
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| Keywords | 強相関電子系 / 磁性 / スピンエレクトロニクス / 超伝導材料・素子 / 分子性固体 |
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| Research Abstract |
We focus on the 'molecular-based magnetic metal crystals', which consist of layers of donor molecules and its counter ions as conducting and magnetic properties, respectively. Especially, no molecular-based materials which realize coupling of superconductivity and ferromagnetism, have been reported. Thus, we want to give theoretical investigation by molecular orbital theory before experimental studies.
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[Journal Article] Theoretical study on the electronic configurations and nature of chemical bonds of dirhodium tetraacetato complexes [Rh2(CH3COO)4(L)2] (L = H2O, Free) : Broken symmetry approach2010
Author(s)
Y.Kataoka, Y.Kitagawa, T.Saito, Y.Nakanishi, T.Matsui, K.Sato, Y.Miyazaki, T.Kawakami, M.Okumura, W.Mori, K.Yamaguchi
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Journal Title
Bull.Chem.Soc.Jpn. 83
Pages: 1481-1488
Peer Reviewed
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[Journal Article] Modification of MOF Catalysts by Manipulation of Counter-ions : Experimental and Theoretical Studies of Photochemical Hydrogen Production from Water over Microporous Diruthenium (II, III) Coordination
Author(s)
Y.Kataoka, Y.Miyazaki, K.Sato, Y.Saito, Y.Nakanishi, Y.Kitagawa, T.Kawakami, M.Okumura, K.Yamaguchi, W.Mori
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Journal Title
Polymers Supramolecular Chemistry (印刷中)
Peer Reviewed
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