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Mohammad Pabel Kabir1, Paulami Ghosh1, Samer Gozem1
1Department of Chemistry, Georgia State University, Atlanta, Georgia 30302, United States.
弗拉文光物理学的计算方法在准确度上有所不同. 多参考扰动理论 (MR-PT2) 是有前途的,但需要谨慎的应用. 时间依赖密度函数理论 (TD-DFT) 适用于光谱,但不太适用于几何优化.
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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
06:53Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
Published on: July 27, 2018
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