G2, G3, and complete basis set calculations of the thermodynamic properties of cis- and trans-triazene.

Abstract

Following our recent study on triazane, we present a follow-up study on the thermodynamic properties of triazane's unsaturated analog, triazene. We predict optimized structural parameters, vibrational frequencies, enthalpies of formation, enthalpies of combustion, specific enthalpies of combustion, and proton affinities. Our results indicate that the cis… (More)

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Cite this paper

@article{Richard2008G2GA, title={G2, G3, and complete basis set calculations of the thermodynamic properties of cis- and trans-triazene.}, author={Ryan M. Richard and David W. Ball}, journal={Journal of molecular modeling}, year={2008}, volume={14 1}, pages={21-7} }