Vibrational dynamics of 4-fluorobenzaldehyde from periodic DFT calculations
نویسندگان
چکیده
منابع مشابه
Vibrational dynamics of a trinuclear oxo-bridged iron complex as studied by nuclear inelastic scattering, Mössbauer spectroscopy and DFT calculations
We have applied nuclear inelastic scattering (NIS) and computational predictions based on density functional theory (DFT) to explore the vibrational dynamics of Fe in a trinuclear oxo-bridged iron(III) complex. Quantitative comparison of the experimentally measured vibrational dynamics of the Mössbauer nuclei Fe, with normal mode analysis, calculated via quantum chemical calculation based on DF...
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ژورنال
عنوان ژورنال: Chemical Physics Letters: X
سال: 2019
ISSN: 2590-1419
DOI: 10.1016/j.cpletx.2019.100006