Atomic Properties of Element 113 and Its Adsorption on Inert Surfaces from ab Initio Dirac−Coulomb Calculations

Fully relativistic ab initio Dirac-Coulomb Fock-space coupled cluster calculations were performed on Tl and element 113. The calculated polarizabilty of element 113, 29.85 au, is the smallest in group 13, except for B. The estimated atomic and van der Waals radii of element 113 are also the smallest...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (51), p.13712-13716
Hauptverfasser:	Pershina, V, Borschevsky, A, Eliav, E, Kaldor, U
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Molecular Structure, Quantum Chemistry, General Theory
Online-Zugang:	Volltext
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