A comparative theoretical study on the structural, spectral, microtopology exploration (ELF, RDG, IRI, TDM), NBO and nonlinear optical properties of Red170 from different solvents and substituents
Feride Akman
Topics & Concepts
Natural bond orbitalIntermolecular forceChemistryCovalent bondHOMO/LUMOComputational chemistryFourier transform infrared spectroscopySpectroscopyCrystal (programming language)Physical chemistryPhotochemistryCrystallographyDensity functional theoryMoleculeOrganic chemistryPhysicsOpticsComputer scienceProgramming languageQuantum mechanicsNonlinear Optical Materials ResearchNonlinear Optical Materials StudiesFree Radicals and Antioxidants