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Published in 2024 at "Scientific Data"
DOI: 10.1038/s41597-024-03723-0
Abstract: We present a data set of quantum topological properties of atoms of 44K randomly selected molecules from the GDB-9 data set. These atomic properties were obtained as defined by the quantum theory of atoms in…
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Keywords:
44k molecules;
atomic properties;
quantum topological;
properties 44k ... See more keywords