title: Molecular electronic structure in one-dimensional Coulomb systems.
abstract: 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 within molecules. This allows us to construct a small set of simple rules which can predict whether a putative 1D molecule should be stable.
authors.affiliation: Research School of Chemistry, Australian National University, Canberra ACT 2601, Australia. caleb.ball@anu.edu.au pf.loos@anu.edu.au peter.gill@anu.edu.au.
authors.forename: Caleb J
authors.identifier: http://orcid.org/0000-0002-9814-5747
authors.initials: CJ
authors.lastname: Ball
authors.affiliation: Research School of Chemistry, Australian National University, Canberra ACT 2601, Australia. caleb.ball@anu.edu.au pf.loos@anu.edu.au peter.gill@anu.edu.au.
authors.forename: Pierre-François
authors.initials: PF
authors.lastname: Loos
authors.affiliation: Research School of Chemistry, Australian National University, Canberra ACT 2601, Australia. caleb.ball@anu.edu.au pf.loos@anu.edu.au peter.gill@anu.edu.au.
authors.forename: Peter M W
authors.identifier: http://orcid.org/0000-0003-1042-6331
authors.initials: PM
authors.lastname: Gill