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Computational Characterization of Energetic Salts

Authors: Haixiang Gao; Chengfeng Ye; Crystal M. Piekarski; Jean'ne M. Shreeve;

Computational Characterization of Energetic Salts

Abstract

Using the experimental (or calculated) values for densities, a combination of theoretical and empirical calculations are powerful tools in predicting heats of formation of energetic salts. The heats of formation of cations and anions and lattice energies were calculated separately based on Born−Haber energy cycles. In this paper, 119 energetic salts were calculated. Heats of formation coupled with densities can be used further for predicting the detonation pressures and velocities and specific impulses of energetic salts. This method provides a straightforward and inexpensive route to screen large numbers of energetic salts

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
186
Top 1%
Top 1%
Top 10%
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