| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
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| Outline of Final Research Achievements |
The reaction dynamics of micro-solvated molecules and clusters have been investigated by means of direct ab initio molecular dynamics (AIMD) method. The purposes of this study are to elucidate the dominant factor on the mechanism in the micro-solvated clusters and the effects of micro-solvation on the product reaction channels. The reaction systems used in the present study were water clusters, hydrated biphenyl molecule, and DNA base pair. It was found that the micro-solvation enhances efficiently the proton transfer reactions following the ionization and photo-irradiation.
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