Discovery of high energy and stable prismane derivatives by the high-throughput computation and machine learning combined strategy
Motivated by the excellent detonation performance of octanitrocubane, prismane is another potential backbone with high strain energy in energetic molecule design. In this work, we aim to screen out candidates of highly energetic molecules from the space of prismane derivatives. The high-throughput c...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2024-03-01
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| Series: | FirePhysChem |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S266713442300041X |