Matches in SemOpenAlex for { <https://semopenalex.org/work/W1996361169> ?p ?o ?g. }
- W1996361169 abstract "We describe the vibrational transitions of the donor unit in water dimer with an approach that is based on a three-dimensional local mode model. We perform a perturbative treatment of the intermolecular vibrational modes to improve the transition wavenumber of the hydrogen bonded OH-stretching transition. The model accurately predicts the transition wavenumbers of the vibrations in water dimer compared to experimental values and provides a physical picture that explains the redshift of the hydrogen bonded OH-oscillator. We find that it is unnecessary to include all six intermolecular modes in the vibrational model and that their effect can, to a good approximation, be computed using a potential energy surface calculated at a lower level electronic structure method than that used for the unperturbed model." @default.
- W1996361169 created "2016-06-24" @default.
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- W1996361169 date "2014-05-09" @default.
- W1996361169 modified "2023-10-07" @default.
- W1996361169 title "The effect of large amplitude motions on the transition frequency redshift in hydrogen bonded complexes: A physical picture" @default.
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- W1996361169 doi "https://doi.org/10.1063/1.4873420" @default.
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