Computational Study on Reaction Mechanisms of Isocyanocarbene with NO
碩士 === 中國文化大學 === 應用化學研究所 === 99 === The mechanisms of the reaction of the Isocyanocarbene radical (HCNC) with the NO have been investigated by ab initio molecular orbital method. The relevant stationary points and potential energy surfaces (PESs) were calculated by the B3LYP/6-311++G(3df,2p) and CC...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2011
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/91171135562836161406 |