Article ID Journal Published Year Pages File Type
5394344 Computational and Theoretical Chemistry 2013 6 Pages PDF
Abstract
► The geometrical and electronic properties of C5O5-/0 and C6O6-/0 oxocarbons have been theoretically investigated. ► AdNDP analyses reveal the bonding patterns of CnOn2-/-/0 oxocarbons (n = 5 and 6). ► The first three VDEs of C5O5- and C6O6- were calculated at various levels.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
First-principles investigations on C5O5-/0 and C6O6-/0 oxocarbons
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