Structures and Functionalization of Composite Electronic Systems based on Nanomolecules
| Project/Area Number |
18066017
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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 | Institute for Molecular Science |
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Principal Investigator |
NAGASE Shigeru Institute for Molecular Science, 理論・計算分子科学研究領域, 教授 (30134901)
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| Co-Investigator(Kenkyū-buntansha) |
OHTSUKA Yuhki 分子科学研究所, 理論・計算分子科学研究領域, 助教 (70397587)
ISHIMURA Kazuya 分子科学研究所, 理論・計算分子科学研究領域, 技術職員 (80390681)
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| Project Period (FY) |
2006 – 2009
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| Project Status |
Completed (Fiscal Year 2009)
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| Budget Amount *help |
¥30,300,000 (Direct Cost: ¥30,300,000)
Fiscal Year 2009: ¥5,500,000 (Direct Cost: ¥5,500,000)
Fiscal Year 2008: ¥9,200,000 (Direct Cost: ¥9,200,000)
Fiscal Year 2007: ¥9,200,000 (Direct Cost: ¥9,200,000)
Fiscal Year 2006: ¥6,400,000 (Direct Cost: ¥6,400,000)
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| Keywords | 量子化学計算 / 高速化と高精度化 / ナノ複合電子系 / 構造 / 反応 / 機能 / ナノサイズ分子 / 複合的電子系 / 機能化 / 高速化 / 高精度化 / 高速並列化 / 高周期元素 / ナノ空間 |
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| Research Abstract |
Reliable quantum chemistry calculations were highly speeded by developing new efficient algorithms and programs as well as new computational approaches, which are applicable to nano-scaled molecules. Structure, reactions, and functions provided by composite electronic systems were disclosed by a close interplay between theoretical calculations and experiment.
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Report
(6 results)
Research Products
(33 results)
