Nitrohydrazines as Potential High Energy Materials: High Level Calculations
Journal of Molecular Structure - THEOCHEM
As part of a series of investigations into unusual molecules of potential application to high-energy materials, we performed a series of calculations to determine the optimized structures, vibrational frequencies, and fundamental thermodynamic properties of nitrohydrazine and dinitrohydrazine. G2, G3, and two complete basis set calculations were performed.
Ball, D. W. Nitrohydrazines as potential high energy materials: High level calculations. Journal of Molecular Structure: THEOCHEM 2006, 773, 1-7.