Theoretical Study on the Conformers and Thermal Distribution of NTO
碩士 === 中正理工學院 === 應用化學研究所 === 88 === ABSTRACT Molecular orbital methods of semiempirical, ab initio and density functional theory (DFT) are selected from Gaussian 98 package to study the local minima of 5-Nitro-1,2,4-triazol-3-one (NTO). The structures and vibration frequencies of the mos...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2000
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| Online Access: | http://ndltd.ncl.edu.tw/handle/22088061297516151766 |