DFT Studies on Reaction Mechanisms and HSAB Theory for Isocyanocarbene Radical with NO
碩士 === 中國文化大學 === 化學系應用化學碩士班 === 101 === The mechanisms and kinetics of the reaction of the Isocyanocarbene (HCNC) with the NO have been investigated by ab initio molecular orbital method. The species involved have been optimized at the B3LYP/6-311++G(3df,2p)level and their single-point energies are...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2013
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| Online Access: | http://ndltd.ncl.edu.tw/handle/81388289621500544254 |