Highly-accurate quartic force fields for the prediction of anharmonic rotational constants and fundamental vibrational frequencies
Mason B. Gardner, Brent R. Westbrook, Ryan C. Fortenberry, Timothy J. Lee
2020Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy74 citationsDOIOpen Access PDF
Topics & Concepts
Rotational–vibrational spectroscopyAnharmonicityTriatomic moleculeQuartic functionPhysicsScalar (mathematics)Force field (fiction)Atomic physicsMoleculeQuantum mechanicsClassical mechanicsMathematicsPure mathematicsGeometryAdvanced Chemical Physics StudiesAtmospheric Ozone and ClimateSpectroscopy and Laser Applications