洞察动态交响乐：借助 DFT 分析对纯液晶和含氟 6O.6 液晶进行全面计算探索

IF 2.4 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Liquid Crystals Pub Date : 2024-04-28 DOI:10.1080/02678292.2024.2344222

Adrish Chakraborty, Debanjan Bhattacharjee, Ayon Bhattacharjee

引用次数: 0

摘要

本文基于密度泛函理论（DFT）模拟方法，研究了纯 6O.6 和氟化 6O.6 液晶化合物的结构和振动行为....。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Insights into the dynamic symphony: a comprehensive computational exploration of pure and fluorinated 6O.6 liquid crystals with the help of DFT analysis

This article is based on the Density Functional Theory (DFT) simulations approach to examine the structural and vibrational behaviour of pure 6O.6 and fluorinated 6O.6 liquid crystalline compounds....

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来源期刊

Liquid Crystals 化学-晶体学

CiteScore

4.70

自引率

18.20%

发文量

132

审稿时长

1.5 months

期刊介绍： Liquid Crystals publishes accounts of original research concerned with all aspects of liquid crystal science and technology, including experimental and theoretical studies ranging from molecular design and synthesis to applications engineering. The journal focus is on liquid crystalline supermolecular organization and self-assembly in a wide range of materials, including thermotropic, lyotropic, interfacial, chiral, ferroelectric, polymer, micro/nanocomposite, biological and related soft-matter liquid crystal systems. Liquid Crystals provides the scientific community, in both academia and industry, with a publication of standing, guaranteed by the Editors and by the International Editorial Board who are active scientists in the worldwide liquid crystal community.