Identification of the vibrational spectra of apigenin and luteolin

Autor:	I. T. Shagautdinova, M. D. Elkin, A. M. Likhter
Rok vydání:	2015
Předmět:	chemistry.chemical_compound Materials science chemistry Computational chemistry Apigenin Physics::Atomic and Molecular Clusters Analytical chemistry Density functional theory Physics::Chemical Physics Luteolin Conformational isomerism Surfaces Coatings and Films Vibrational spectra
Zdroj:	Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques. 9:753-760
ISSN:	1819-7094 1027-4510
DOI:	10.1134/s1027451015040175
Popis:	Model quantum calculations of the geometric structure and vibrational spectra of such flavone-containing compounds as apigenin and luteolin are carried out within the framework of DFT/b3LYP density functional theory. Signs of the spectral identification of the conformers of these compounds are revealed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::21143c73cbe026f634177338a7d808eb https://doi.org/10.1134/s1027451015040175 Zobrazit plný text záznamu Full text from SpringerLink