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Diyala Journal for Pure Science

Scientific Refereed Journal Published By College of Science - University of Diyala


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Diyala Journal for Pure Science DJPS


P- ISSN:2222-8373, E-ISSN:2518-9255


Volume 17, Issue 4 , October  2021




Synthesis, Characterization and Computational Study of Discotic Liquid Crystal Compounds


Hussein Abood Idham, Hanaa Kaain Salih and Ibtisam Khalifa Jassim


Year: 2021, Volume: 17, Issue 4


Pages: 65-81 , DOI: https://dx.doi.org/10.24237/djps.17.04.567C


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 Discotic liquid crystal compounds were synthesized and characterized. Liquid crystalline texture of these compounds was investigated by polarized optical microscopy (POM). The Hartree-Fock approximation (HF) was used to calculate theoretical molecular parameters for synthesized compounds such as optimization, hardness, EHOMO, ELUMO, and energy gap using the Gaussian 09W program. 

Keywords:  Liquid Crystals, Discotic Liquid Crystals, Computational Chemistry, Hartree-Fock.

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