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Automatic construction of a structural formula from the results of an analysis of the IR spectrum of a compound with a known empirical formula

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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 23, No. 3, pp. 479–485, September, 1975.

The author is deeply grateful to L. A. Gribov who set this problem and to A. I. Tishchenko for a discussion of the approach to its solution.

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Dement'ev, V.A. Automatic construction of a structural formula from the results of an analysis of the IR spectrum of a compound with a known empirical formula. J Appl Spectrosc 23, 1232–1236 (1975). https://doi.org/10.1007/BF00713011

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  • DOI: https://doi.org/10.1007/BF00713011

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