Articles with "simulated vibrational" as a keyword



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Study of the Experimental and Simulated Vibrational Spectra Together with Conformational Analysis of Thioether Cyanobiphenyl-Based Liquid Crystal Dimers

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Published in 2022 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms23148005

Abstract: Infrared spectroscopy (IR) and quantum chemistry calculations that are based on the density functional theory (DFT) have been used to study the structure and molecular interactions of the nematic and twist-bend phases of thioether-linked dimers.… read more here.

Keywords: spectra; study experimental; spectra together; simulated vibrational ... See more keywords