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# THEORETICAL STUDY OF THE $N_{3}$ MOLECULE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/12147

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 Title: THEORETICAL STUDY OF THE $N_{3}$ MOLECULE Creators: Langhoff, S. R. Issue Date: 1985 Abstract: The electronic structure of the $N_{3}$ molecule is studied at the complete-active space self-consistent field and multi-reference singles plus doubles configuration-interaction levels. The vertical excitation spectrum is delineated for both the doublet and quartet manifolds. Preliminary results will be presented for the $N_{2} + N$ exchange reaction occuring on the lowest quartet surface. The importance of this study to the phenomenon of non-equilibrium air chemistry occuring in the hot shock layers of the proposed aero-assisted transfer vehicle (AOTV) will be discussed. URI: http://hdl.handle.net/1811/12147 Other Identifiers: 1985-RB-9