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This brief is based on computations performed on unary neutral and charged iron clusters, binary iron clusters, and iron clusters interacting with carbon and oxygen atoms as well as with a number of diatomics and water. The author considers geometrical structure, thermodynamic stability and electronic properties which are compared with experimental data. Special attention is paid to the dependence of total spin magnetic moments of iron clusters on their size, charge and interactions with dopant and absorbed atoms. In the dopant case, species such as 3d-metal, 4d-metal, Al, and Gd atoms are considered. In the adsorption case interactions of carbon atoms with iron clusters as the initial stage of catalyzed carbon nanotube growth are presented. Interactions of iron clusters with oxygen atoms are presented and the superexchange mechanism is discussed. Of special interest is the tracking of changes due to the evolution from a few atoms to a nanocluster.

Physical & Theoretical Chemistry --- Chemistry --- Physical Sciences & Mathematics --- Iron. --- Iron --- Magnetic properties. --- Native element minerals --- Transition metals --- Siderophile elements --- Chemistry, Physical organic. --- Nanotechnology. --- Chemistry. --- Chemical engineering. --- Physical Chemistry. --- Theoretical and Computational Chemistry. --- Industrial Chemistry/Chemical Engineering. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Physical sciences --- Molecular technology --- Nanoscale technology --- High technology --- Chemistry, Industrial --- Engineering, Chemical --- Industrial chemistry --- Engineering --- Chemistry, Technical --- Metallurgy --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry