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Determination of Spectrum-Structure Correlations Based on Integral Parameters of Mass Spectra

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Abstract

A general approach is proposed for the determination of spectrum-structure correlations and the investigation of relationships between the structure and reactivity of molecules in the gas phase using integral structural and mass spectral parameters (indices). These indices are generated taking into account all the observable parameters of a mass spectrum.

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Authors and Affiliations

  1. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russia

    Yu. S. Nekrasov, Yu. N. Sukharev & E. E. Tepfer

Authors
  1. Yu. S. Nekrasov
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  2. Yu. N. Sukharev
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  3. E. E. Tepfer
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Translated from Zhurnal Analiticheskoi Khimii, Vol. 60, No. 11, 2005, pp. 1164–1166.

Original Russian Text Copyright © 2005 by Nekrasov, Sukharev, Tepfer.

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Nekrasov, Y.S., Sukharev, Y.N. & Tepfer, E.E. Determination of Spectrum-Structure Correlations Based on Integral Parameters of Mass Spectra. J Anal Chem 60, 1035–1037 (2005). https://doi.org/10.1007/s10809-005-0233-4

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  • DOI: https://doi.org/10.1007/s10809-005-0233-4

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