Optical absorption measurements and optoelectronic DFT calculations for ethanol solvated quercetin and anhydrous/hydrated quercetin crystals
Valdir Ferreira de Paula, Maria Izabel Florindo Guedes, Maurício Fraga van Tilburg, Ícaro Gusmão Pinto Vieira, J.B. Silva, Regina Cláudia Rodrigues dos Santos, J. P. Echeverry, G Costa, Bianca Pinto da Silva, F. F. Maia, E. W. S. Caetano, V. N. Freire
Topics & Concepts
Monoclinic crystal systemBand gapAnhydrousChemistryDirect and indirect band gapsQuercetinTriclinic crystal systemDensity functional theoryCrystallographyCrystal (programming language)Analytical Chemistry (journal)Crystal structurePhysical chemistryInorganic chemistryMaterials scienceComputational chemistryOptoelectronicsOrganic chemistryAntioxidantProgramming languageComputer scienceNonlinear Optical Materials ResearchCrystallography and molecular interactionsPhotochemistry and Electron Transfer Studies