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Molecular Forcefield Methods for Describing Energetic Molecular Crystals: A Review

Wen Qian1, Xianggui Xue1, Jian Liu1

  • 1Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621999, China.

Molecules (Basel, Switzerland)
|March 10, 2022
PubMed

Keywords:
ReaxFFenergetic molecular crystalmolecular dynamics simulationmolecular forcefield

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