Density functional theory and two-dimensional correlation polarized infrared spectroscopy studies on the anti-ferroelectric liquid crystal (1-methylheptyl)4-(4′-decyloxy-4-biphenyl) oxymethylene benzoate

Journal of Molecular Structure

Volumn 889, Issue 1-3, 2008, Pages 45-53

  Cheng, Jianbo ^b   Cheng, Yuchuan ^a   Zhao, Bing ^a   Xu, Weiqing ^a   Zhang, Gang ^c  

^a Jilin University   (China)

^b YANTAI UNIVERSITY   (China)

^c State Key Laboratory of Theoretical and Computational Chemistry   (China)

Author keywords

Density function theory; Liquid crystals; Molecular structure; Raman and IR spectra

Indexed keywords

CORRELATION METHODS; CRYSTAL STRUCTURE; DISCRETE FOURIER TRANSFORMS; ELECTRIC FIELDS; ELECTROMAGNETIC FIELD THEORY; ELECTROMAGNETIC FIELDS; FERROELECTRICITY; HYDROCARBONS; INFRARED SPECTROSCOPY; LIGHT SOURCES; LIQUID CRYSTALS; MOLECULAR SPECTROSCOPY; ORGANIC COMPOUNDS; POWDERS; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS; TWO DIMENSIONAL;

ANGLE-DEPENDENT; AVERAGE MOLECULAR; B3LYP/6-31G; CORRELATION SPECTROSCOPY; DENSITY FUNCTION THEORY; DFT THEORY; FERRO-ELECTRIC LIQUID CRYSTALS; FIELD INDUCED; HYDROCARBON CHAINS; INFRARED SPECTRA; LONG AXIS; MESOGEN; MOLECULAR STRUCTURE; POLARIZED INFRARED SPECTROSCOPY; RAMAN AND IR SPECTRA; STABLE STRUCTURES; TWO-DIMENSIONAL CORRELATION; VIBRATIONAL FREQUENCIES; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

EID: 52949121048     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.01.023     Document Type: Article

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