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Article
Nitrohydrazines as Potential High Energy Materials: High Level Calculations
Journal of Molecular Structure - THEOCHEM
  • David W. Ball, Cleveland State University
Document Type
Article
Publication Date
10-30-2006
Disciplines
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.

DOI
10.1016/j.theochem.2006.06.038
Citation Information
Ball, D. W. Nitrohydrazines as potential high energy materials: High level calculations. Journal of Molecular Structure: THEOCHEM 2006, 773, 1-7.