Spin–Orbit Coupling Effects in Au m Pt n Clusters (m + n = 4)

A study of Au m Pt n (m + n = 4) clusters with and without spin–orbit (SO) coupling using scalar relativistic (SR) and two component methods with the ZORA Hamiltonian was carried out. We employed the PW91 functional in conjunction with the all-electron TZ2P basis set. This paper offers a detailed an...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2016-03, Vol.120 (10), p.1698-1705
Hauptverfasser:	Moreno, Norberto, Ferraro, Franklin, Flórez, Elizabeth, Hadad, C. Z, Restrepo, Albeiro
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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