Supporting Data for: Advancing 19F NMR Prediction of Metal-Fluoride Complexes in Solution: Insights from Ab Initio Molecular Dynamics
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https://dataverse.no/citation?persistentId=doi:10.18710/OEYQII
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资源简介：
Introduction: This Dataverse entry contains supporting data for our journal article “Advancing 19F NMR Prediction of Metal-Fluoride Complexes in Solution: Insights from Ab Initio Molecular Dynamics” submitted for review. The dataset contains additional computational work performed to support the research work, which was not included in the manuscript. The dataset consists of two files: 1) 'Additional_computational_results.pdf', and 2) 'XYZ_Coordinates_Static+Dynamic.xyz'. The first file contains additional computational data and analysis to support the research work. The second file contains the XYZ structures of the computated geometries studied in the work.
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提供机构：
University of Oslo; UiT The Arctic University of Norway
创建时间：
2024-08-16
