Journal article

The electronic structure of alkali aurides. A four-component Dirac-Kohn-Sham study

L Belpassi, F Tarantelli, A Sgamellotti, HM Quiney

Journal of Physical Chemistry A | AMER CHEMICAL SOC | Published : 2006

DOI: 10.1021/jp054938w

University of Melbourne Researchers

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28Web of Science
27Scopus

Keywords

Metal-Metal Bond
Shell Structure
Physics, Atomic, Molecular & Chemical
Physical Sciences
Dissociation-Energies
Science & Technology
Ab-Initio
Spectroscopic Constants
Polyatomic-Molecules
Chemistry, Physical
Chemistry
Density-Functional Theory
Gold Compounds
Effective Core Potentials
Physics
Gaussian-2 G2 Theory