Density functional theory study on the structure and energy properties of high-energy–density materials based on trinitrophenyl azacyclic compounds.
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| Title: | Density functional theory study on the structure and energy properties of high-energy–density materials based on trinitrophenyl azacyclic compounds. |
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| Authors: | Zhang, Xinyue1 (AUTHOR), Guo, Jiaming1 (AUTHOR), Peng, Xinhua1 (AUTHOR) xhpeng@njust.edu.cn |
| Source: | Journal of Molecular Modeling. Mar2026, Vol. 32 Issue 3, p1-14. 14p. |
| Database: | Academic Search Ultimate |
| ISSN: | 16102940 |
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| DOI: | 10.1007/s00894-026-06651-5 |
