Comparative computational analysis of orthoconic antiferroelectric liquid crystals: DFT analysis

Context The study undertakes a comparative analysis of four distinct semi-fluorinated chiral Organic Active Ferroelectric Liquid Crystals (OAFLCs). The comparative analysis of the compounds is done by using various parameters, including thermodynamic, non-linear optical, electrical, atomic charge di...

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Veröffentlicht in:	Journal of molecular modeling 2024-10, Vol.30 (10), p.328-328, Article 328
Hauptverfasser:	Garg, Bharti, Shariq, Mohammad, Alathlawi, Hussain J., Almutib, Eman, Alshareef, Tasneem H., Alzahrani, Ali, Khan, Mohd Shakir, Slimani, Y.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Antiferroelectricity Characterization and Evaluation of Materials Charge distribution chemical reactions Chemistry Chemistry and Materials Science Comparative analysis Computer Appl. in Life Sciences Computer Applications in Chemistry computer software Density functional theory Display devices Electrical properties energy Energy distribution Fluorination Liquid crystals liquids Molecular Medicine Molecular properties Optical properties Original Paper Performance prediction Theoretical and Computational Chemistry thermodynamics
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