Adam M. Steer

Evaluating Power-LawScaling Factors for HarmonicVibrational Frequencies across Model Chemistries

Abstract Scaling factors are derived for fundamental harmonic vibrational frequencies and molecular thermodynamic corrections using the recently developed wavenumber power scaling (WPS) method [Spectrochim. Acta, Part A2026, 359, 127967.]. WPS enables a simple two-parameter scali...