This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …

During the last decade, significant scientific research efforts have led to a significant growth
in understanding of cancer at the genetic, molecular, and cellular levels providing great …

The emergence of increasingly complex molecular magnets, driven in particular by
polyoxometalate chemistry, requires theoretical tools to accurately model and understand …

A new pillared-layer coordination polymer,[Co3 (pybz) 2 (pico) 2] n (1; pybz= 4-(pyridin-4-yl)
benzoate, pico= 3-hydroxypicolinate), contains rare 2D [Co3 (pico) 2] n 2 n+ layers formed …

Despite extensive biochemical, spectroscopic, and computational studies, the mechanism of
biological water oxidation by the oxygen evolving complex (OEC) of Photosystem II remains …

The new oxofluoride FeSeO3F, which is isostructural with FeTeO3F and GaTeO3F, was
prepared by hydrothermal synthesis, and its structure was determined by X-ray diffraction …

Four 3D coordination polymers,[Co7 (OH) 4 (H2O) 2 (ina) 4 (ip) 3]· 10H2O (1· 10H2O, ina=
isonicotinate, ip= isophthalate),[Ni7 (OH) 4 (H2O) 2 (ina) 4 (ip) 3]· 10H2O (2· 10H2O),[Co7 …

In this study, three manganese complexes [Mn (H 2 L) Cl 2]· MeOH,[Mn 3 (L) 2 (OAc) 2
(MeOH) 2]· 2MeOH and [Mn 2 Ca (L) 2 (OAc) 2 (MeOH) 2]· 2MeOH derived from a …

Recent advances in computational physics now allow for the simulation of many magnetic
and thermodynamic observables to an unprecedented accuracy. Generally, the results of …

We investigate how ligand substitution affects the intramolecular spin exchange interactions,
studying a prototypical family of single-molecule magnets comprising dodecanuclear cluster …