Comprehensive coordination chemistry reviews the synthesis reactions and properties of
coordination compounds. Their uses in such diverse fields as nuclear fuels, toxicology …

The development, characterization, and technological exploitation of new materials,
particularly as components in 'smart'systems, are key challenges for chemistry and physics …

This work reports the evaluation of several theoretical approaches to the zero-field splitting
(ZFS) in transition metal complexes. The experimentally well-known complex [Mn (acac) 3] is …

Equations are derived and discussed that allow the computation of zero-field splitting (ZFS)
tensors in transition metal complexes for any value of the ground-state total spin S. An …

The synthesis, crystal structure, and magnetic characterization of a novel tetranuclear iron
(III) methoxo-bridged cluster of formula Fe4 (OCH3) 6 (dpm) 6 (where Hdpm …

Some considerations on the proper use of computational tools in transition metal chemistry -
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Predicting single‐molecule magnets? Magnetic anisotropy, a property that plays a key role
in single‐molecule magnets (SMMs), has been analyzed by using theoretical methods …

The coordination effects of the magnetic interaction between a paramagnetic transition metal
or lanthanide ion and radical ligand (s) upon the spectroscopic (chiroptical and/or …

First principle calculations of the magnetic structure of high nuclearity clusters appears
challenging in order to validate fits of magnetic experiments. Density Functional Theory …

We resume here a fundamental aspect concerning magnetic anisotropy and show with
some examples how it is possible to rationalize it. The results are obtained within the …