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Updated: Jul 4, 2025

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
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从分子到设备:利用密度函数理论计算,深入了解化衍生化合物的电子和光学特性

Ayyaz Mahmood1,2,3, Tayyaba Akram4, Shenggui Chen1,3

  • 1School of Mechanical Engineering, Dongguan University of Technology, Dongguan 523808, China.

The journal of physical chemistry. A
|February 7, 2024
PubMed
概括

本研究使用密度函数理论探讨了五种二衍生物的电子,光谱和光学特性. 这些化合物由于其电子结构和反应性,具有直接带间隙和光电子应用的潜力.

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