AB INITIO STUDY OF SPECTRAL PARAMETERS OF THE POLYMERIC PHOTOREFRACTIVE COMPOSITES

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dc.contributor.authorКороткова, Ірина Валентинівна
dc.date.accessioned2020-03-02T07:15:13Z
dc.date.available2020-03-02T07:15:13Z
dc.date.issued2020-02-05
dc.descriptionThe 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.uk_UA
dc.identifier.isbn978-92-9472-193-8
dc.identifier.urihttps://dspace.pdau.edu.ua/handle/123456789/7554
dc.subjectphotorefractive polymers, quantum-chemical calculation, polarizability, hyperpolarizabilityuk_UA
dc.titleAB INITIO STUDY OF SPECTRAL PARAMETERS OF THE POLYMERIC PHOTOREFRACTIVE COMPOSITESuk_UA
dc.typeArticleuk_UA
local.department1.6 Кафедра біотехнології та хіміїuk_UA
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