Comparative study on the unimolecular decompositions of energetic regioisomers: BFTF-1 and BFTF-2

Comparative study on the unimolecular decompositions of energetic regioisomers: BFTF-1 and BFTF-2

Regioisomeric energetic materials displayed different properties and performances. Understanding the regioisomerism in energetic materials and how it impacts the properties of energetic materials could provide insights into their improvements and designs. The present study explored the electrostatic...

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Bibliographic Details
Main Authors: Jianxin Li, Panpan Heng, Baoshan Wang, Bozhou Wang, Ning Liu, Xiaocong Wang
Format: Article
Language:English
Published: KeAi Communications Co. Ltd. 2023-12-01
Series:FirePhysChem
Subjects:
BFTF-1
Decomposition pathway
Energetic material
Quantum chemistry
Reactive molecular dynamics simulation
Regioisomerism
Online Access:http://www.sciencedirect.com/science/article/pii/S2667134423000111

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http://www.sciencedirect.com/science/article/pii/S2667134423000111

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