2017Journal of Chemical SciencesRequires access

Molecular design and performance prediction of poly-dinitroamino pyrrole compounds as energetic materials

Mei Li, Fengmin Wu, Hang Xu

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Key concepts: Isodesmic reaction, Bond-dissociation energy, Detonation velocity, Detonation, Standard enthalpy of formation, Substituent, Density functional theory, Molecule

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