| Budget Amount *help |
¥3,700,000 (Direct Cost: ¥3,700,000)
Fiscal Year 2006: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2005: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2004: ¥2,200,000 (Direct Cost: ¥2,200,000)
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| Research Abstract |
Theoretical studies on collision process of (H+ CH2, C2H4, C2H6, NH2, H20)^+ systems has been done by using adiabatic potential of their systems and MO couplings at various orientations of target molecule. On the charge transfer process of proton with target molecule, a scattering cross section was calculated by means of close-coupling method, and reaction processes, ionization, dissociation, and fragmentation were investigated. In our previous work, close-coupling calculation has been carried out on various systems, as (H+CH4)^+, (H+C2H2)^+ and so on. This study is a series of these atom/molecule collision process, and for closer investigations on these atom-molecule reactions. Comparing with simple molecule systems, as (H+H2)^+, it is necessary to consider so many excitation sates and final states on the collision reaction of these complex molecules, and the required data base is much larger than the previous systems.
These numerical databases on collision process is variable in many applications, such as surface science, nano-technology, and radiology. A careful reassessment of theoretical calculations and experimental results is now performed in order to construct a reliable data base on the above processes. We are now continuing to make a database useful to wide applications. Following these researches, libraries of dissociation process of bio-molecules are now under progress for material science and biomedical applications. Among them, fragmentation and dissociation of O^+/H_2 and H^+/H_2O molecule is one of the interesting reactions in biology and environment science. The data libraries for these applications were also studied.
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