| Budget Amount *help |
¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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| Outline of Final Research Achievements |
The essential role of solute-solvent interactions in chemical reaction rate was jointly studied by computational and experimental approaches. Under the breakdown of thermodynamic equilibrium, the isomerization reaction rates of azobenzenes were computationally analyzed by molecular dynamics simulations which qualitatively reproduced the reaction rate retardness (Krameres turnover) caused by enhanced solvent viscosity under high pressure. Alternatively, the experimental analysis of the isomerization reaction rates of 1-benzopyrans (chromenes) elucidated the microscopic environment of solute-solvent interactions at molecular revel.
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