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• W2045222709 endingPage "953" @default.
• W2045222709 startingPage "947" @default.
• W2045222709 abstract "Using DFT/B3LYP/6-311++G** method, the molecular structure and absorption spectra in terahertz (THz) range of liquid crystal 5CB are investigated. In a frequency range 0–15 THz, an assignment of the vibrational modes corresponding to absorption frequencies is performed using potential energy distribution for the first time. It is found that the cyano group radical (–CN) do actively take part in the strongest THz absorption of 1.743, 3.942, 5.169 and 14.769 THz in different vibration modes. The results suggest that the strong polar group should be avoided in designing liquid crystal molecule and mixtures in order to reduce the absorption intensity in THz range." @default.
• W2045222709 created "2016-06-24" @default.
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• W2045222709 creator A5079001347 @default.
• W2045222709 date "2015-03-27" @default.
• W2045222709 modified "2023-10-14" @default.
• W2045222709 title "Molecular vibration mode assignment of nematic liquid crystal 5CB on Terahertz spectra" @default.
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• W2045222709 doi "https://doi.org/10.1080/02678292.2015.1006151" @default.
• W2045222709 hasPublicationYear "2015" @default.
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