On the Diverse Bonding Situations in Nanostructures: Dissertationsschrift. Zugl.: Karlsruhe, Diss. - Softcover

On the diverse bonding situations in nanostructures : an ab initio computational study

8° Paperback. Zustand: Wie neu. 131 S. This computational study investigates diverse bonding situations in nanostructures (carbon nanotubes, fullerenes, metal compounds) spanning a broad range of energies. Weak, dispersive interactions and covalent metal-ligand and metal-metal bonding are examined. The results of efficient density functional calculations are compared to those of correlated wavefunction calculations on model systems. This rigorous validation is crucial in evaluating the balance between computational cost and accuracy. B02-02-04D Sprache: Englisch Gewicht in Gramm: 300. Artikel-Nr. 1835337

Verkäufer kontaktieren