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Zhan Tong Zhang1, Jiří J L Vaníček1
1Laboratory of Theoretical Physical Chemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland.
这项研究介绍了一种依赖时间的哈杰多恩波束动态方法,用于有效计算单个振动级 (SVL) 光光谱. 该方法简化了大型系统中的复杂计算,使得从任意振动级别进行准确的光谱分析成为可能.
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07:11ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
Published on: August 19, 2021
08:54Vibrational 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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