Theoretical Study of Small Scandium-Doped Silver Clusters ScAgn with n = 1-7: σ-Aromatic Feature

Geometry, chemical bonding, and aromatic feature of a series of small silver clusters doped by an Sc atom (ScAgn with n = 1-7) were investigated by means of density functional theory calculations. A planar shape is found for ScAgn including n from 4 to 7. The growth mechanism is established for the...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (40), p.7964-7972
Hauptverfasser:	Pham, Hung Tan, Ngo, Loc Quang, Pham-Ho, My Phuong, Nguyen, Minh Tho
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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