プラズマ反応の量子化学的解析と可視化 -メタンからメタノール直接合成に関与する反応- [in Japanese] Quantum Chemistry Analysis of Plasma Reaction and its Visualization [in Japanese]
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The paper describes quantum chemistry analysis using ab initio molecular orbital method to know microscopic mechanisms of plasma-assisted reactions and their visualization of geometrical configurations from the reactant to product via the transition state. Attention is paid to such key reactions as CH4+O→CH3+OH and CH3+OH→CH3OH which play important roles to produce methanol with the aid of plasma reactability. The analytical results prevail that the quantum chemistry approach together with molecular level visualization is a powerful tool to understand the plasma reaction processes.
- Transactions of Visualization Society of Japan
Transactions of Visualization Society of Japan 18(70), 207-211, 1998-07-01
The Visualization Society of Japan