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Molecular electronic structure in one-dimensional Coulomb systems

Ball, Caleb; Loos, Pierre-Francois; Gill, Peter


Following two recent papers [Phys. Chem. Chem. Phys., 2015, 17, 3196; Mol. Phys., 2015, 113, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally surprising, variety of stable 1D compounds (from diatomics to tetra-atomics) as well as a small collection of stable polymeric structures. We define the exclusion potential, a 1D analogue of the electrostatic potential, and show that it can be used to rationalise the nature of bonding...[Show more]

CollectionsANU Research Publications
Date published: 2017
Type: Journal article
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/c6cp06801d


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