Peculiar Transformations in the CxHxP4-x (x = 0-4) Series

In the current work, we performed a systematic study of the CxHxP4-x (x = 0-4) series using an unbiased CK global minimum and low-lying isomers search for the singlet and triplet P4-C4H4 species at the B3LYP/6-31G** level of theory. The selected lowest isomers were recalculated at the CCSD(T)/CBS//B...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of chemical theory and computation 2012-01, Vol.8 (1), p.135-140
Hauptverfasser:	Ivanov, Alexander S, Bozhenko, Konstantin V, Boldyrev, Alexander I
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!