ENGLISH

Principles and Applications of Density Functional Theory in Inorganic Chemistry I

By N. Kaltsoyannis , J.E. McGrady (auth.)

Book information

Publisher
Springer-Verlag Berlin Heidelberg
Year
2004
ISBN
3540218602, 9783540218609
DOI
10.1007/b12224
Language
english
Format
PDF
Filesize
2 MB (1936422 bytes)
Series
Structure and Bonding 112
Edition
1
Pages
194\201
Topic
Chemistry
Library
rutracker
Time added
2013-07-12 16:00:00
Inorganic Chemistry; Theoretical and Computational

Description

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.

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