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초록
we have performed the calculations on the alkaline metal ion complexes of pentazol (N5-) and oxopentazole anions (ON5-) by using the density functional theory (DFT) methods in the gas phase and in solution to examine the stability of the complexes.
- 제목
- Density Functional Theory Studies on Stability of Alkaline Metal Complexes of Pentazole and Oxopentazole Anions
- 저자
- LEE HAI WHANG
- 학회명
- 2nd Korean International Symposium on High Energy Materials
- 개최지
- 인하대학교
- 학회 개최일
- 2012-09-17 ~ 2012-09-20