C3取代萘酰亚胺衍生物作为有前途的TADF发射体：计算研究揭示的施主强度的影响（ad . Theory Simul. 7/2025）

IF 2.9 4区工程技术 Q1 MULTIDISCIPLINARY SCIENCES

Advanced Theory and Simulations Pub Date : 2025-07-07 DOI:10.1002/adts.202570013

Chetan Saini, K. R. Justin Thomas

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引用次数: 0

摘要

在文章2401571中，Chetan Saini和K. R. Justin Thomas展示了密度泛函理论（DFT）在筛选高性能热激活延迟荧光（TADF）分子中的应用。背景特征是一组候选分子正在进行计算评估。放大镜突出显示通过DFT分析确定的最有效的分子。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

C3 Substituted Naphthalimide Derivatives as Promising TADF Emitters: Effect of Donor Strength Revealed by Computational Studies (Adv. Theory Simul. 7/2025)

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C3 Substituted Naphthalimide Derivatives as Promising TADF Emitters: Effect of Donor Strength Revealed by Computational Studies (Adv. Theory Simul. 7/2025)

In article 2401571, Chetan Saini and K. R. Justin Thomas demonstrate the use of Density Functional Theory (DFT) in screening high-performance Thermally Activated Delayed Fluorescence (TADF) molecules. The background features a cluster of candidate molecules undergoing computational evaluation. A magnifier highlights the most efficient molecule identified through DFT analysis.

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来源期刊

Advanced Theory and Simulations Multidisciplinary-Multidisciplinary

CiteScore

5.50

自引率

3.00%

发文量

221

期刊介绍： Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics