Title

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.

DOI

10.1016/j.theochem.2006.06.038

Volume

773

Issue

1-3