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Updated: May 15, 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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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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半古典方法计算分子的振动解析的电离化截面

Paul E Adamson1, Darryl J Watkins1, Michael V Pak2

  • 1Naval Research Laboratory, Washington, District of Columbia 20375, United States.

The journal of physical chemistry. A
|April 9, 2025
PubMed
概括

本研究提出了一种半古典模型,用于计算分子中的电子冲击离子化截面. 该模型提供了详细的,有振动分辨率的数据,增强了对分子电离过程的理解.

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