Energetic molecule specific polarizable force field
The development of accurate force fields of energetic molecules (EM) to predict their crystal structures has been aggressively pursued in the EM research community. In this study, a non-empirical polarizable force field for energetic molecules is derived from the quantum-mechanical (QM) calculation...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2021-09-01
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| Series: | FirePhysChem |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667134421000304 |