Articles with "atomic contributions" as a keyword



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Exploring the Non-Covalent Bonding in Water Clusters

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Published in 2023 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms24065271

Abstract: QTAIM and source function analysis were used to explore the non-covalent bonding in twelve different water clusters (H2O)n obtained by considering n = 2–7 and various geometrical arrangements. A total of seventy-seven O−H⋯O hydrogen bonds… read more here.

Keywords: water; atomic contributions; water clusters; covalent bonding ... See more keywords