Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5417487 | Journal of Molecular Structure: THEOCHEM | 2009 | 4 Pages |
Abstract
Periodane is a molecule in which each of the atoms from the second period other than neon occur exactly once. The isomers of a neon analogue of periodane are studied computationally using density functional theory and Møller-Plesset perturbation theory. We were unable to find stable structures in which neon was tightly bound; all the minima are found to be weakly bound NCB(F)OLi â¯Â Ne complexes. However, the novel NCB(F)OLi and NCBF molecules were found during the search.
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Physical and Theoretical Chemistry
Authors
Shamus A. Blair, Sean A.C. McDowell, Ajit J. Thakkar,