Parity alternation of linear ground-state hydrogenated cationic carbon clusters HCnSi+ (n=1–10)

Theoretical studies on structures and electronic spectra of linear HC2n+1H+ (n=2–7)

“…6 that the odd-numbered chains are higher than the even-numbered ones in E n -values, suggesting that the former are slightly less stable than the latter. This result is accordant with the previous studies on HC n Si + chains [48]. 3.2.…”

A theoretical study of electronic spectra in the linear cationic chains NC2n+1N+ (n=1–6)

“…4. We can see that the DE n -values of even-numbered chains are lower than those of odd-numbered chains, implying the former are more stable than the latter, which consists with the discussion above and agree with the results of previous investigations on the systems of HC n Si + [42] and HC n H + [38,39]. The X 2 G g/u ground state and 1 2 G u/g excited state for the NC 2n+1 N + (n = 1-6) chains by the theory of CASSCF are depicted in Fig.…”