Principles and Applications of Density Functional Theory in Inorganic Chemistry I

Herausgegeben:Kaltsoyanis, Nik; McGrady, John E.

• Broschiertes Buch

Produktbeschreibung

The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.

Produktdetails

• Structure and Bonding 112
• Verlag: Springer / Springer Berlin Heidelberg / Springer, Berlin
• Artikelnr. des Verlages: 978-3-662-14538-8
• Softcover reprint of the original 1st ed. 2004
• Seitenzahl: 208
• Erscheinungstermin: 3. Oktober 2013
• Englisch
• Abmessung: 235mm x 155mm x 12mm
• Gewicht: 324g
• ISBN-13: 9783662145388
• ISBN-10: 3662145383
• Artikelnr.: 39506420

Inhaltsangabe

The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.