Principles and Applications of Density Functional Theory in Inorganic Chemistry I

1. Auflage 2004
ISBN: 978-3-540-21860-9
Verlag: Springer

Buch, Englisch, Band 112, 194 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 1050 g

Reihe: Structure and Bonding

Presents critical reviews of the present position and future trends in modern chemical research Short and concise reports on chemistry, each written by the world's renowned experts Still valid and useful after 5 or 10 years More information as well as the electronic version of the whole content available at: http://www.springerlink.com/openurl.asp?genre=journal&eissn=1616-8550

Zielgruppe

Professional/practitioner

Autoren/Hrsg.

Kaltsoyanis, Nik

McGrady, John E.

Fachgebiete

• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie
• Naturwissenschaften Chemie Anorganische Chemie Nichtmetallische Chemie
• Naturwissenschaften Chemie Physikalische Chemie Thermochemie, Chemische Thermodynamik

Inhaltsverzeichnis

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.