Effects of Cocrystallization on the Structure and Properties of Melt-Cast Explosive 2,4-Dinitroaniso...
Effects of Cocrystallization on the Structure and Properties of Melt-Cast Explosive 2,4-Dinitroanisole: A Computational Study
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Author / Creator
Wang, Defu , Yang, Lei and Zhu, Weihua
Publisher
Switzerland: MDPI AG
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Language
English
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Publisher
Switzerland: MDPI AG
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Scope and Contents
Contents
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 functional theory and molecular dynamics. The component...
Alternative Titles
Full title
Effects of Cocrystallization on the Structure and Properties of Melt-Cast Explosive 2,4-Dinitroanisole: A Computational Study
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Record Identifier
TN_cdi_doaj_primary_oai_doaj_org_article_1d67897cdcce49b4a40c7eba709c4d0e
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_1d67897cdcce49b4a40c7eba709c4d0e
Other Identifiers
ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules27249010
