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SPSS Binary - 38.8 KB -
MD5: d518303cfbc1ffddc654f1aa2b7af4be
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Aug 19, 2024 -
Supporting Data for: Advancing 19F NMR Prediction of Metal-Fluoride Complexes in Solution: Insights from Ab Initio Molecular Dynamics
Co-Ordinate Animation - 1.4 MB -
MD5: 7a855ac223b4b4d6015c22ce5190ec43
File containing cartesian coordinates, charges, and spin multiplicities of all structures studied. Coordinates specified in the standard XYZ file format, each species separated by a newline character. The file can be opened in the open-source software 'Mercury'. |
