Theoretical Studies of the Following Reaction Mechanisms:I.The C-N Coupling Reaction on Pt(111) and Ni(111) Surface II.the HCN Formation from CHxNO on Pt(111) surface
碩士 === 國立臺灣師範大學 === 化學系 === 99 === I: The C-N Coupling Reaction on Pt(111) and Ni(111) Surface. We used the density functional theory (DFT) with the projector-augmented-wave method (PAW) to systematically investigate the C-N coupling reaction, an important catalytic process in industrial synthesis t...
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| Format: | Others |
| Language: | zh-TW |
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2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/52966892223090960757 |