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DJPS

Diyala Journal for Pure Science

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

 

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djps.17.04.567C

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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Abstract


 

 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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