| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395287 | Computational and Theoretical Chemistry | 2011 | 8 Pages |
Abstract
⺠DFT was used to study the HOFs, thermal stability, and detonation properties for a series ofdiiminotetrazole derivatives. ⺠The N3, NH2, or NH group play a very important role in increasing their HOF values. ⺠Overall, the CH2, CH2CH2, CHCH, or CH2CH2CH2 group is an effective bridge for enhancing their thermal stability. ⺠The ONO2, NO2, or NF2 group is an effective structural unit for improving their detonation performance.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Chenchen Zhang, Weihua Zhu, Heming Xiao,