Lanthanide supramolecular chemistry is a fast growing and intriguing research field due to
the unique photophysical, magnetic, and coordination properties of lanthanide ions (LnIII) …

The discovery of the first Single-Molecule Magnet, Mn12-ac, in 1993 changed the
perspective of how information can be stored. The current bit, occupying few hundreds of …

Metal-metal bonding interactions can engender outstanding magnetic properties in bulk
materials and molecules, and examples abound for the transition metals. Extending this …

TURBOMOLE is a collaborative, multi-national software development project aiming to
provide highly efficient and stable computational tools for quantum chemical simulations of …

Lanthanide (Ln) compounds represent a unique chemical platform for developing high-
temperature single-molecule magnets (SMMs). The shift in research focus from increasing …

Design and synthesis of air-stable and easily tailored high-performance single-molecule
magnets (SMMs) are of great significance toward the implementation of SMMs in molecular …

The field of molecular magnetism is rapidly evolving towards the use of magnetic molecules
and molecule-based magnetic materials in physics-driven and nanotechnology-driven …

Spins in solids or in molecules possess discrete energy levels, and the associated quantum
states can be tuned and coherently manipulated by means of external electromagnetic …

MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of
computational methods from Hartree–Fock and density functional theory to various …

Substituted dysprosocenium complexes of the type [Dy (Cp R) 2]+ exhibit slow magnetic
relaxation at cryogenic temperatures and have emerged as top-performing single-molecule …