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A DFT study of aminonitroimidazoles

P Ravi1, Girish M Gore, Surya P Tewari

  • 1Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Hyderabad 500 046, India. rpiitb@hotmail.com

Journal of Molecular Modeling
|May 7, 2011
PubMed
Summary

Density functional theory (DFT) calculations reveal promising properties for novel aminonitroimidazoles. These compounds show potential as energetic materials, comparable to established explosives like RDX and HMX.

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