Reaction mechanisms of RCNN（R=F , Cl , Br, CN, NH2 , CH3）radical with NO molecule via density function theory
碩士 === 中國文化大學 === 化學系應用化學碩士班 === 103 === Abstract We calculated the RCNN (R = H, F, CI, Br, CN, NH2, CH3) radical reacted with NO molecule via Gaussian 03 program. All of the reactants, intermediates, transition states and products have also been optimized at B3LYP/6-311++G (3df, 2p) level. In our s...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2014
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| Online Access: | http://ndltd.ncl.edu.tw/handle/99644610196675478003 |