Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic molecules - researchr publication

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Adam A. E. Fouda, Nicholas A. Besley. Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic molecules. Journal of Computational Chemistry, 41(11):1081-1090, 2020. [doi]

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