Mesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; methyl 4-[4-(4-alkoxy benzoyloxy) benzylideneamino] benzoates

R Nandi, HK Singh, SK Singh, B Singh…

Index: Nandi, Rajib; Singh, Hemant Kumar; Singh, Sachin Kumar; Singh, Bachcha; Singh, Ranjan K. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2014 , vol. 128, p. 248 - 256

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Abstract

... Please enable JavaScript to use all the features on this page. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ... The method adopted for this calculation was hybrid density functionals, that mixes the Becke three hybrid functionals for exchange part and the Lee, Yang and Parr hybrid functional for correlation part (B3LYP) [25] and [26]. ... Abbreviations: k = crystalline state, SmA = smectic A mesophase, i = isotropic liquid. ...

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