Accelerated discovery of high-density pyrazole-based energetic materials using machine learning and density functional theory
Abstract Pyrazole-based energetic materials are heterocyclic aromatic compounds characterized by unique structural configuration that promotes high energy content per unit mass and crystal density. These desirable properties render them particularly suitable candidates for energetic materials, with...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-05-01
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| Series: | Discover Chemistry |
| Online Access: | https://doi.org/10.1007/s44371-025-00179-y |
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