| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2013: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2011: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| Outline of Final Research Achievements |
The obtained results of this research are classified as follows and the part of them were already presented in the academic meetings in Chemistry.
(1) Theoretical study of the modeling of potential energy surfaces in chemical reactions. (2) Theoretical study of the reaction mechanism of the multiple proton transfer reactions of bio- and the related molecules, such as acetic acid - methanol complex and 7-azaindole - water complex. (3) Theoretical study of the excited electronic states of formic acid dimmer and tropolone and the influence of them to the proton transfer dynamics. (4) Theoretical study of the multiple proton transfer reactions where multiple excited electronic states and the intersection of these states are involved, such as DNA base pairs. (5) Theoretical study of multiple proton transfer reactions in the hydrogen network system of H-F.
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