Theoretical study on new high energetic density compounds with high power and specific impulse

In order to screen novel high energetic density compounds with high power and specific impulse, eight compounds containing an aza-cage or fused ring structure were designed. The B3PW91/6–31G(d,p) theoretical method was used to optimize their structures. Their power, specific impulse, impact sensitiv...

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Bibliographic Details
Main Authors: Peng Lian, Chao Kang, Yao-Xuan Zhang, Song Chen, Wei-Peng Lai
Format: Article
Language:English
Published: KeAi Communications Co. Ltd. 2021-06-01
Series:FirePhysChem
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2667134421000201