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Updated: Jun 15, 2025

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Harmonic Scale Factors of Fundamental Transitions for Dispersion-corrected Quantum Chemical Methods

Denis S Tikhonov1,2, Igor Gordiy3, Danila A Iakovlev4

  • 1Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607, Hamburg, Germany.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|August 22, 2024
PubMed

Keywords:
DFT (density functional theory)DatasetFittingInfrared spectroscopyMolecular vibrationsScale factors

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