New Potential High Energy Materials: High-Level Calculations on the Properties of Aminonitromethanes
Document Type
Article
Publication Date
11-15-2008
Publication Title
Journal of Molecular Structure - THEOCHEM
Abstract
In this study, we explore the possibility that methane substituted with one or two amino and nitro groups might act as high energy materials. G2 and G3 calculations were performed to determine optimized geometries, vibrational frequencies and spectra, enthalpies of formation, and enthalpies of combustion or decomposition of aminonitromethane and diaminodinitromethane.
Recommended Citation
Mathews, K. Y.; Ball, D. W. New potential high energy materials: High-level calculations on the properties of aminonitromethanes. Journal of Molecular Structure: THEOCHEM 2008, 868, 78-81.
DOI
10.1016/j.theochem.2008.08.011
Volume
868
Issue
1-3
