Effects of Cocrystallization on the Structure and Properties of Melt-Cast Explosive 2,4-Dinitroanisole: A Computational Study

Melt-cast explosive 2,4-dinitroanisole (DNAN) crystal and its cocrystals DNAN/1,3-dinitrobenzene (DNB) and DNAN/2-nitroaniline (NA) were used to identify the effects of cocrystallization on the crystal structure, non-covalent interactions, and melting points of the DNAN crystal through density funct...

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Bibliographic Details
Published in:Molecules
Main Authors: Defu Wang, Lei Yang, Weihua Zhu
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Subjects:
DNAN
cocrystallization
melt-cast explosives
intermolecular interactions
melting points
Online Access:https://www.mdpi.com/1420-3049/27/24/9010

Internet

https://www.mdpi.com/1420-3049/27/24/9010

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