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Updated: Jun 26, 2025

Total Internal Reflection Absorption Spectroscopy TIRAS for the Detection of Solvated Electrons at a Plasma-liquid Interface
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Published on: January 24, 2018

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2-in-1 阶段空间采样用于计算水合电子的吸收光谱

László Turi1, Bence Baranyi1, Ádám Madarász2

  • 1Institute of Chemistry, ELTE, Eötvös Loránd University, Pázmány Péter sétány 1/A, Budapest H-1117, Hungary.

Journal of chemical theory and computation
|May 10, 2024
PubMed
概括

一般化平滑轨迹分析 (GSTA) 有效地将核量子效应 (NQE) 纳入吸收光谱计算中. 这种方法揭示了显著的NQEs,导致光谱红移和扩大在水合电子系统.

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