Articles with "density materials" as a keyword



Nitro derivatives of triazetidine: potential high energy density materials

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Published in 2018 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-018-3733-5

Abstract: AbstractIn a continuing effort to evaluate the properties of new possible high energy density materials, we have calculated the optimized geometries and thermodynamic properties of a series of nitro derivatives of triazetidine, c-CH2(NH)3. After evaluating… read more here.

Keywords: energy; high energy; nitro derivatives; density materials ... See more keywords
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Theoretical design and exploration of novel high energy density materials based on silicon

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Published in 2018 at "Journal of Energetic Materials"

DOI: 10.1080/07370652.2017.1399943

Abstract: ABSTRACT Si-based high energy density materials (HEDMs) have been theoretically studied based on density functional theory and ab initio molecular dynamics simulation. These HEDM compounds have a unique fused-heterocyclic structure centered at Si. A new… read more here.

Keywords: energetic materials; high energy; density materials; density ... See more keywords