MODELLING MOLECULAR STRUCTURES
CONTENTS 1 AB INITIO INVESTIGATION OF ANISOTROPIC MAGNETISM AND MAGNETIZATION BLOCKING IN METAL COMPLEXES 1 2 ANALYTICAL DERIVATIONS FOR THE DESCRIPTION OF MAGNETIC ANISOTROPY IN TRANSITION METAL COMPLEXES 63 3 CALCULATIONS OF MAGNETIC EXCHANGE IN MULTINUCLEAR COMPOUNDS 111 4 EXACT DIAGONALIZATION TECHNIQUES FOR QUANTUM SPIN SYSTEMS 155 5 MODELING MAGNETIC PROPERTIES OF ACTINIDE COMPLEXES 179 6 SPIN PHONON RELAXATION IN MAGNETIC MOLECULES THEORY PREDICTIONS AND INSIGHTS 219 7 AB INITIO MODELLING OF LANTHANIDE BASED MOLECULAR MAGNETS WHERE TO FROM HERE 291 8 MOLECULAR MAGNETS ON SURFACES IN SILICO RECIPES FOR A SUCCESSFUL MARRIAGE 395 9 THEORETICAL APPROACHES FOR ELECTRON TRANSPORT THROUGH MAGNETIC MOLECULES 445