Theoretical study on the structures and properties of hydrogen-doped cationic carbon clusters CnH2+ (n = 3-10)

- The ground-state isomers of the CnH2+ (n = 3-10) clusters are defined.
- The electronic structures of the G-S isomers of CnH2+ (n = 3-10) are explored.
- The Cn chains of the clusters with even-n display quasi-polyacetylene-like structures.
- The even-n cationic clusters are more stable than the odd-n ones.
- The trend of parity alternation is explained based on a series of properties.