2011•Journal of Molecular ModelingRequires access

Molecular design of aminopolynitroazole-based high-energy materials

Vikas D. Ghule, Srinivas Dharavath, Radhakrishnan Sarangapani, Pandurang M. Jadhav, Surya P. Tewari

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