Articles with "44k molecules" as a keyword



Quantum Topological Atomic Properties of 44K molecules

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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… read more here.

Keywords: 44k molecules; atomic properties; quantum topological; properties 44k ... See more keywords