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Updated: Jul 7, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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一个新的六维的初始潜在能量表面和N2-CO2复合体的振动频谱

Yang Peng1, Xuedan Jiang1, Li Liu1

  • 1School of Chemistry, Sichuan University, Chengdu 610064, China.

The Journal of chemical physics
|December 26, 2023
PubMed
概括

计算了-CO2复合体的新潜在能量表面. 确定了振动能量水平和光谱参数,显示了与这种近前置非对称旋转器的实验数据的良好一致.

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