Calculated IR absorption spectra for perfluoroalkyl and polyfluoroalkyl (PFAS) molecules
Sonjae Wallace, Samuel G. Lambrakos, Andrew Shabaev, Lou Massa
Topics & Concepts
ChemistryMoleculeDensity functional theorySpectral lineInfrared spectroscopyAbsorption spectroscopyComputational chemistryPhysical chemistryGaussianAnalytical Chemistry (journal)Environmental chemistryOrganic chemistryPhysicsQuantum mechanicsAstronomyPer- and polyfluoroalkyl substances researchAtmospheric Ozone and ClimateAtmospheric chemistry and aerosols