Theoretical and Experimental Study on Electronic States and Reactivity of Molecules
Grant-in-Aid for Overseas Scientific Survey.
|Allocation Type||Single-year Grants |
|Research Institution||Hiroshima University |
IMAMURA Akira Hiroshima Univ., Faculty of Science, Professor, 理学部, 教授 (70076991)
S.H. Bauer Cornell Univ., Department of Chemistry, 教授
R. Hoffmann Cornell Univ., Department of Chemistry, 教授
YABUSHITA Satoshi Hiroshima Univ., Faculty of Science, Assistant, 理学部, 助手 (50210315)
OHSAKU Masaru Hiroshima Univ., Faculty of Science, Assistant, 理学部, 助手 (70033884)
SAITO Ko Hiroshima Univ., Faculty of Science, Associate Professor, 理学部, 助教授 (00033853)
HOFFMANN R. Cornell Univ., Department of Chemistry, Professor
BAUER S.H. Cornell Univ., Department of Chemistry, Professor
|Project Period (FY)
1988 – 1989
Completed (Fiscal Year 1989)
|Budget Amount *help
¥5,000,000 (Direct Cost: ¥5,000,000)
Fiscal Year 1989: ¥2,000,000 (Direct Cost: ¥2,000,000)
Fiscal Year 1988: ¥3,000,000 (Direct Cost: ¥3,000,000)
|Keywords||Electronic State / Transition State / Reaction Coordinate / Ab-initio Method / Extended Huckel Method / Through Space / Bond Interaction / Orbital Symmetry|
In this joint research, we intend to investigate the research problem with the reseach group of USA on both sides of theory and experiment to connect the both regions. The summary is as follows:
Theoretical: Programming considered coservation rule of orbital symmetry for analysis of reaction path and through space/bond interaction at the level of strict calculation (Ab Initio method).
Experimental: Experimental research on the reaction path tied up with above theory, using laser chemistry method etc.
This new plan will link the theory and experiment.
Report (1 results)
Research Products (10 results)