2009 Fiscal Year Final Research Report
Structures and Functionalization of Composite Electronic Systems based on Nanomolecules
| Project/Area Number |
18066017
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
|
| Allocation Type | Single-year Grants |
|---|
| Review Section |
Science and Engineering
|
|---|
| Research Institution | Institute for Molecular Science |
|---|
Principal Investigator |
NAGASE Shigeru Institute for Molecular Science, 理論・計算分子科学研究領域, 教授 (30134901)
|
|---|
| 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)
|
|---|
| Project Period (FY) |
2006 – 2009
|
| 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 |
|---|
| 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.
|
