Harmonic Scale Factors of Fundamental Transitions for Dispersion‐corrected Quantum Chemical Methods - Tikhonov, Denis S.; Gordiy, Igor; Iakovlev, Danila A.; Gorislav, Alisa A.; Kalinin, Mikhail A.; Nikolenko, Sergei A.; Malaskeevich, Ksenia M.; Yureva, Karina; Matsokin, Nikita A.; Schnell, Melanie (Chemphyschem, 2024)
Keywords: Buckminsterfullerene; Dataset; Deviation; DFT (density functional theory); Fitting; Infrared spectroscopy; Molecular vibrations; Quantum chemistry; Scale factors; Scaling; DFT (density functional theory); Infrared spectroscopy; Scale factors; Fitting; Dataset; Molecular vibrations