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- W2079972079 abstract "Inelastic neutron scattering and solid state quantum chemistry calculations are applied to investigate the lattice vibrations in crystalline potassium hydrogen phthalate containing very short intermolecular OH⋯O hydrogen bond (2.529 Å). The inelastic neutron scattering spectrum is interpreted in the energy range 30–3500 cm−1 using the density function theory approach within the harmonic approximation. The one-dimensional potential of the proton moving along the short OH⋯O bond is mapped and a considerable contribution of anharmonicity (about 24%) to the antisymmetric OHO stretching vibration is calculated." @default.
- W2079972079 created "2016-06-24" @default.
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- W2079972079 date "2010-04-01" @default.
- W2079972079 modified "2023-10-16" @default.
- W2079972079 title "Inelastic neutron scattering and DFT study of potassium hydrogen phthalate" @default.
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- W2079972079 doi "https://doi.org/10.1016/j.molstruc.2009.12.044" @default.
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