Electronic spectra of heteroatom-containing isoelectronic carbon chains C(2n)S and C2(n)Cl+ (n=1-5)

Structures and stabilities of carbon chains C(2n)S and C2(n)Cl+ (n=1-5) in their ground states have been investigated by the density functional theory and the coupled cluster approach using single and double substitutions. The complete active space self-consistent-field method has been used for geom...

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Veröffentlicht in:	The Journal of chemical physics 2006-03, Vol.124 (12), p.124319-124319
Hauptverfasser:	Zhang, Jinglai, Wu, Wenpeng, Wang, Lianbin, Cao, Zexing
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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