Electron paramagnetic resonance at multiple, high frequencies (95–700GHz) and at
correspondingly high magnetic fields (up to 25T), known as HFEPR, is a relatively new …

A new program, PHI, with the ability to calculate the magnetic properties of large spin
systems and complex orbitally degenerate systems, such as clusters of d‐block and f‐block …

Manipulating magnetic materials is the cornerstone of hard drive technology. This modern
information technology era has led to an explosive increase in the rate of data generation …

This first introduction to the rapidly growing field of molecular magnetism is written with
Masters and PhD students in mind, while postdocs and other newcomers will also find it an …

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 …

Metalloenzymes utilize inexpensive and earth-abundant transition metal ions as important
co-factors to enable binding of a dioxygen molecule so that it can be used in various …

Structural, magnetic, and spectroscopic data on a Mn3+ spin-crossover complex with Schiff
base ligand 4-OMe-Sal2323, isolated in crystal lattices with five different counteranions, are …

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 …

Transition-metal complexes, with their reversible redox properties, are the basis for
electrochemical energy storage devices, such as rechargeable batteries and …

This review provides a summary of distinct Hamiltonians used to describe magnetic and
spectroscopic properties of paramagnetic and magnetic coordination compounds. Based on …