Spin-crossover compounds are becoming increasingly popular for device and sensor
applications, and in soft materials, that make use of their switchable colour, paramagnetism …

The electron spin made its debut in the device world only two decades ago but today our
ability of detecting the spin state of a moving electron underpins the entire magnetic data …

A systematic study of the performance of several density functional methodologies to study
spin-crossover (SCO) on first row transition metal complexes is reported. All functionals have …

Molecular spintronics seeks to use single or few molecules as functional building blocks for
spintronic applications, directly relying on molecular properties or properties of interfaces …

The accuracy of relative spin-state energetics predicted by selected quantum chemistry
methods: coupled cluster theory at the CCSD (T) level, multiconfigurational perturbation …

Spin-crossover compounds showing wide thermal hysteresis are surveyed, and the factors
underlying these properties are discussed. Hysteresis is promoted by large structural …

The long-sought-after crystal structure of Fe (tpa)(NCS) 2 (1, tpa= tris (2-pyridylmethyl)
amine), an otherwise well-studied spin-crossover (SCO) complex, has been obtained, and …

The mechanism of the light‐induced spin crossover of the [Fe (bpy) 3] 2+ complex (bpy= 2,
2′‐bipyridine) has been studied by combining accurate electronic‐structure calculations …

The lattice dynamical aspects of the spin crossover phenomenon in molecular solids—
displaying intricate couplings between the electronic spin state of the molecules and the …

Fundamental aspects of spin crossover (SCO) mechanisms are reviewed through
considerations of ligand/crystal field theory, thermodynamics, and modeling of the …