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Principles and Applications of Density Functional Theory in Inorganic Chemistry I

Author: N Kaltsoyannis; J E McGrady
Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg, 2004.
Series: Structure and bonding, 112.
Edition/Format:   eBook : Document : EnglishView all editions and formats
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Genre/Form: Electronic books
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: N Kaltsoyannis; J E McGrady
ISBN: 9783540409243 3540409246
OCLC Number: 259623984
Description: 1 online resource.
Contents: 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.
Series Title: Structure and bonding, 112.
Responsibility: by N. Kaltsoyannis, J.E. McGrady.

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