Vibrational Dynamics in crystalline 4-(dimethylamino) benzaldehyde: Inelastic Neutron Scattering and Periodic DFT Study
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DOI: 10.3390/ma15020475
Abstract: The structure and dynamics of crystalline 4-(dimethylamino) benzaldehyde, 4DMAB, are assessed through INS spectroscopy combined with periodic DFT calculations. The excellent agreement between experimental and calculated spectra is the basis for a reliable assignment of… read more here.
Keywords: periodic dft; methyl groups; dynamics crystalline; dimethylamino benzaldehyde ... See more keywords