Odd electrons of nanomaterials: A new approach to computational chemical engineering

A unified theoretical and/or computational odd-electrons approach is suggested to nanomaterials making possible their consideration on the same conceptual basis as well as on the same computational footing. The current paper presents the grounds of the approach that was successfully applied to the chemistry of fullerenes, carbon single-walled nanotubes, surface science of silicon crystal as well as to the molecular magnetism of both molecular crystals composed of nanosize transitional metal complexes and solid polymerized fullerenes. © 2007 American Institute of Physics.