affiliation not provided to SSRN
Fe binuclear complexes, spin crossover, antiferromagnetic coupling, density functional theory.
Spin crossover mechanism, Fe(II) complexes, Periodic DFT calculations, Intermolecular interactions, Crystal packing
Organic semiconductors, Density functional theory, Electronic and optical properties, Ambipolar behavior, Electron-withdrawing groups, photovoltaic
DFT, Zirconia clusters, Amorphous silica surfaces, Catalyst supports, Adsorption and embedding
