Principles and Applications of Density Functional Theory in Inorganic Chemistry I

John E. McGrady

ISBN 10: 3540218602 / ISBN 13: 9783540218609

Verlag: Springer Berlin Heidelberg, Springer Berlin Heidelberg Sep 2004, 2004

Beschreibung

Neuware -J. Autschbach: The Calculation of NMR Parameters in Transition Metal Complexes.- A. Rosa, G. Ricciardi, O. Gritsenko, E.J. Baerends: Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- G. Ujaque, F. Maseras: Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- J.N. Harvey: DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 208 pp. Englisch.

Bestandsnummer des Verkäufers 9783540218609

Bibliografische Details

• Titel: Principles and Applications of Density Functional Theory in Inorganic Chemistry I
• Verlag: Springer Berlin Heidelberg, Springer Berlin Heidelberg Sep 2004
• Erscheinungsjahr: 2004
• Sprache: Englisch
• ISBN-10: 3540218602
• ISBN-13: 9783540218609
• Einband: Buch
• Zustand: Neu

Über diesen Titel

Inhaltsangabe

Discusses recent developments in the density functional theory and its application in modern inorganic and bio-inorganic chemistry. Focuses on advances in density functional methodology.