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Updated: Jun 30, 2025

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使用Pariser-Parr-Pople半经验量子化学方法对具有反转单元-三元能量差距的分子进行超快速计算选

Kjell Jorner1,2,3,4, Robert Pollice3,4,5, Cyrille Lavigne3,4

  • 1Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 1, Zürich CH-8093, Switzerland.

The journal of physical chemistry. A
|March 14, 2024
PubMed
概括

研究人员开发了一种更快的计算方法,以找到具有反转能量差距的新有机发光二极管 (OLED) 材料. 这加速了下一代OLED的发现.

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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
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