Determination of Spectrum-Structure Correlations Based on Integral Parameters of Mass Spectra |
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| Authors: | Yu. S. Nekrasov Yu. N. Sukharev E. E. Tepfer |
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| Affiliation: | (1) Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russia |
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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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