Please use this identifier to cite or link to this item: http://dspace.pdaa.edu.ua:8080/handle/123456789/7554
Title: AB INITIO STUDY OF SPECTRAL PARAMETERS OF THE POLYMERIC PHOTOREFRACTIVE COMPOSITES
Authors: Короткова, Ірина Валентинівна
Keywords: photorefractive polymers, quantum-chemical calculation, polarizability, hyperpolarizability
Issue Date: 5-Feb-2020
Description: The molecular modeling of polymeric photorefractive composites with DπA chromophores were carried out using B3LYP level of density functional theory (DFT). A relationship between electronic structure and nonlinear optical activity of chromophores (NLO) was found. Computation analyze confirmed that presented composites can be used as an effective NLO material.
URI: http://dspace.pdaa.edu.ua:8080/handle/123456789/7554
ISBN: 978-92-9472-193-8
Appears in Collections:Тези конференцій

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