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The Quantum-Chemical and Spectral Criteria for Hydrogen Bonding Efficiency in Structural Analysis of Aramides

Andrey Tokar1, Olga Chigvintseva1
Affiliation: 
1 Dnipro State University of Agriculture and Economics, 25, S. Yefremov St., 49600 Dnipro, Ukraine atokar_2004@ukr.net
DOI: 
https://doi.org/10.23939/chcht15.01.009
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Keywords:

Abstract: 
Some features of hydrogen bonding effects for the phenylon polymer matrix filled with a terlon fiber have been investigated at ab initio approximation. The results of calculations for isolated and dimerized structural forms of N-phenylbenzamide as a model compound are in good agreement with the spectral data for this composite material building.
References: 

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