Theoretical Chemistry of Gold - Pyykkö - 2004 - Angewandte Chemie International Edition - Wiley
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Abstract Die besonderen Eigenschaften des Golds sind entscheidend durch relativistische
Effekte bestimmt. Mittlerweile existiert eine Vielzahl zuverlässiger Rechnungen zu …

A systematic search for global and energetically low-lying minimum structures of neutral
gold clusters Aun (n= 2–20) is performed within a seeded genetic algorithm technique using …

Multishell helical gold nanowires were recently imaged by electron microscopy. We show
theoretically that the contact with the gold tips at either end of the wire plays a crucial role …

On the reconstructed Au (111) surface, atoms on the surface layer occupy both the hcp and
the fcc sites. Using first-principles calculations to obtain the surface energies of the system …

Why is mercury liquid? Or, why do relativistic effects not get into chemistry textbooks? Page 1
Why Is Mercury Liquid? Or, Why Do Relativistic Effects NotGet into Chemistry Textbooks? Lars …

Cohesive energies, bulk moduli and equilibrium lattice constants have been calculated for
the 4d and 5d transition metals with face-centred cubic crystal lattices (Rh, Pd, Ag and Ir, Pt …

The structure of (√ 3×√ 3) Ag/Si (111) is investigated using first-principles total-energy
calculations. The lowest-energy configuration consists of a top layer of Ag atoms arranged …

Decoupling of the graphene layer from the ferromagnetic substrate via intercalation of sp
metal has recently been proposed as an effective way to realize a single-layer graphene …

We predict a highly stable and robust atomically thin gold monolayer with a hexagonal close
packed lattice stabilized by metallic bonding with contributions from strong relativistic effects …