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초록
PM3 theoretical method has been applied to study the stepwise nitration of HAIW by NO2+ to produce HNIW (2,4,6,8,10,12-hexanitrohexaazaisowurtzitane, CL-20), HAIT + 6NO2+ --> HNIW + 6 CH3CO+. In the first step of the process, six possible nitration modes have been investigated.
- 제목
- Theoretical Studies on the Nitration of Hexaacetylhexaazaisowurtzitane(HNIW)
- 저자
- KYOOHYUN CHUNG
- 학회명
- 15th IUPAC Conference on Physical Organic Chemistry Programme and Abstracts