2009 Fiscal Year Final Research Report
Theoretical studies of multidimensional NMR, X-ray, and Infrared spectroscopies
| Project/Area Number |
19350011
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (B)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | Kyoto University |
|---|
Principal Investigator |
TANIMURA Yoshitaka Kyoto University, 大学院・理学研究科, 教授 (20270465)
|
|---|
| Project Period (FY) |
2007 – 2009
|
| Keywords | 二次元分光 / 赤外 / X線 / NMR / ラマン |
|---|
| Research Abstract |
We developed theory of multidimensional NMR, ESR, and infrared spectroscopies. For NMR and ESR studies, we extended our hierarchy equation of motion approaches to the low temperature system and general spectral distributions. For multidimensional infrared spectroscopy, we developed a methodology that allows us to evaluate multidimensional signal directly from molecular dynamics simulation. We also calculate multidimensional IR signal from nonlinear Brownian model by deriving equation of motion and by solving it numerically.
|
Research Products
(42 results)
