Principles and Applications of Density Functional Theory in Inorganic Chemistry I by Nik KaltsoyanisPrinciples and Applications of Density Functional Theory in Inorganic Chemistry I by Nik Kaltsoyanis

Principles and Applications of Density Functional Theory in Inorganic Chemistry I

byNik KaltsoyanisEditorJohn E. McGrady

Paperback | October 3, 2013

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Title:Principles and Applications of Density Functional Theory in Inorganic Chemistry IFormat:PaperbackDimensions:194 pagesPublished:October 3, 2013Publisher:Springer-Verlag/Sci-Tech/TradeLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:3662145383

ISBN - 13:9783662145388

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Table of Contents

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.