| Budget Amount *help |
¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000)
Fiscal Year 2021: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2020: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2019: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2018: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Outline of Final Research Achievements |
Based on the quantum chemistry, statistical mechanics, and integrated theory we have developed so far, we created new methods to investigate the electronic structure, stability, and dynamics in solutions for a wide range of polyatomic molecular systems, including the coordination self-assembly and clusters. The achievements are classified into three categories: (1) physicochemically clear descriptions of the electronic structure of molecules based on quantum chemical methods, (2) a statistical mechanics theory that deals analytically and algebraically with the stability and dynamics in solvation systems, and (3) theoretical approaches that integrate the above. New theories were developed, such as electronic structure theory based on the two-electron function and liquid theory based on classical density-functional theory. Our theoretical approaches have successfully clarified the molecular picture in various systems.
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