Evidence map›Paper›PMID 39249149›Full record

ArticleJournal of molecular modeling2024

Comparative computational analysis of orthoconic antiferroelectric liquid crystals: DFT analysis.

Bharti Garg, Mohammad Shariq, Hussain J Alathlawi, Eman Almutib, Tasneem H Alshareef, Ali Alzahrani, Mohd Shakir Khan, Y Slimani

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Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Bharti GargPhysics Division, School of Basic Sciences, Galgotias University, Greater Noida, 201310, India.
Mohammad ShariqDepartment of Physical Sciences, Physics Division, College of Science, Jazan University, P.O. Box 114, Jazan, 45142, Saudi Arabia. aligshariq@gmail.com.
Hussain J AlathlawiDepartment of Physical Sciences, Physics Division, College of Science, Jazan University, P.O. Box 114, Jazan, 45142, Saudi Arabia.
Eman AlmutibDepartment of Physics, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia.
Tasneem H AlshareefDepartment of Chemistry, College of Science and Arts, Najran University, Najran, 11001, Saudi Arabia.
Ali AlzahraniDepartment of Physics, Al-Qunfudah University College, UmmAl-Qura University, Makkah, 21955, Saudi Arabia.
Mohd Shakir KhanDepartment of Physics, College of Science, Majmaah University, Majmaah, 11952, Saudi Arabia. ms.khan@mu.edu.sa.
Y SlimaniDepartment of Biophysics, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam, 31441, Saudi Arabia.

Funding

Deanship of ‎Postgraduate Studies and Scientific Research at ‎Majmaah University R-2024-335
6 · The paper itself

Abstract

contextThe 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 distribution, and atomic orientations. We use optimization algorithms to look at chemical reactivity, electrical properties, intermolecular interactions, and static hyperpolarizability. Sample 4 is the best choice for a wide range of display applications. This research contributes to understanding the nuanced properties of semi-fluorinated chiral OAFLCs and highlights Sample 4's potential for novel applications in display technology, owing to its superior stability and optimized properties. This study helps to enhance our understanding of the comparative analysis of semi-fluorinated chiral OAFLCs for potential advancements in display technologies by incorporating findings from key studies.

methodThe simulations are performed using density functional theory (DFT) with the B3LYP functional for predicting molecular properties, and Vibrational Energy Distribution Analysis (VEDA) software is used to perform the vibrational analysis of the molecules.

Indexed as

DFTInfrared spectroscopyLiquid crystalsNon-linear opticalOAFLC

Identifiers

PMID39249149

What OpenQuestion holds

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.