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DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers
DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers
2018
M. Alcolea Palafox
Keywords:
Computational chemistry
Wavenumber
Spectral line
Scaling
Chemistry
Density functional theory
Physics
Computational physics
vibrational spectra
Computation
Correction
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