The quantum-chemical modelling of structure and spectral characteristics for molecular complexes in pentaplast-terlon system

Аndrey Tokar1, Elena Synchuk1, Olga Chigvintseva1
Affiliation: 
1 Dnipropetrovsk State University of Agriculture and Economics 25, S. Efremova St., 49600 Dnipro, Ukraine
DOI: 
https://doi.org/10.23939/chcht11.04.405
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Abstract: 
Using ab initio methods of quantum chemistry, structure and spectral properties of the molecular complexes which were formed by monomer of pentaplast chain and N-phenylbenzamide, that recreate features of intermolecular interaction in the penton-terlon system were researched. Offered theoretical models reflect proper spectral and energetic characteristics of investigated system.
References: 

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