Principles and Applications of Density Functional Theory in Inorganic Chemistry I

John E. McGrady

ISBN 10: 3540218602 / ISBN 13: 9783540218609

Published by Springer Berlin Heidelberg, 2004

About this Item

Druck auf Anfrage Neuware - Printed after ordering - 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.

Seller Inventory # 9783540218609

Bibliographic Details

• Title: Principles and Applications of Density Functional Theory in Inorganic Chemistry I
• Publisher: Springer Berlin Heidelberg
• Publication Date: 2004
• Language: English
• ISBN 10: 3540218602
• ISBN 13: 9783540218609
• Binding: Buch
• Condition: Neu

About this title

Synopsis

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.