Conclusions
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1.
The CNDO/2 approximation makes it possible to obtain qualitatively correct concepts regarding the structure of nitro compuonds.
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2.
The CNDO/2 method can be recommended for estimating the conformations and calculating the valence angles of the molecules of nitro compounds.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 12, pp. 2798–2800, December, 1977.
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Belik, A.V., Shlyapochnikov, V.A. Complete optimization of geometry of molecules of nitro compounds as the CNDO/2 approximation. Russ Chem Bull 26, 2588–2590 (1977). https://doi.org/10.1007/BF00924575
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DOI: https://doi.org/10.1007/BF00924575