Nitrohydrazines as Potential High Energy Materials: High Level Calculations
Document Type
Article
Publication Date
10-30-2006
Publication Title
Journal of Molecular Structure - THEOCHEM
Abstract
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.
Recommended Citation
Ball, D. W. Nitrohydrazines as potential high energy materials: High level calculations. Journal of Molecular Structure: THEOCHEM 2006, 773, 1-7.
DOI
10.1016/j.theochem.2006.06.038
Volume
773
Issue
1-3
