Contents

Current Inorganic Chemistry, Volume 3 - Number 3

Editorial

Editorial (Thematic Issue: New Frontiers in Computational Inorganic Chemistry)

, 3(3): 195

Michael Filatov


DOI: 10.2174/1877944104999140115154328




Computational Studies of Photodissociation, Photoinduced Isomerization, and Stereochemistry of Coordination Complexes

, 3(3): 196 - 212

Justyna M. Zurek and Martin J. Paterson


DOI: 10.2174/1877944103666140110225337




Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods

, 3(3): 213 - 219

Asmus O. Dohn, Klaus B. Moller and Stephan P. A. Sauer


DOI: 10.2174/1877944103666140110230100




Exploring Bonding in Heavy Atom Chemistry with Dirac-Exact Methods

, 3(3): 220 - 234

Wenli Zou, Michael Filatov and Dieter Cremer


DOI: 10.2174/1877944103666140110230538




Analysis of the Magnetic Exchange Interaction in Halide-Bridged Cu(II) Binuclear Complexes: Deciphering the Paths

, 3(3): 235 - 241

Boris Le Guennic and Nicolas Ferré


DOI: 10.2174/1877944103666140110225547




Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

, 3(3): 242 - 259

Latevi Max Lawson Daku


DOI: 10.2174/1877944103666140110231029




Estimation of Electronic Coupling for Charge Transfer in Bioinorganic Molecules

, 3(3): 260 - 269

Alexander A. Voityuk


DOI: 10.2174/1877944103666140110230337




On the Use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings: A Study on Model Systems for Bio-Inorganic Fe and Co Complexes

, 3(3): 270 - 283

Birgitte O. Milhoj, Erik D. Hedegard and Stephan P. A. Sauer


DOI: 10.2174/1877944103666140110225818




Relativistic Calculation of Hyperfine Parameters of Mercury Compounds

, 3(3): 284 - 290

Michael Filatov, Wenli Zou and Dieter Cremer


DOI: 10.2174/1877944103666140110230901




Acknowledgements to Reviewers:

, 3(3): 291


DOI: 10.2174/187794410303140219205212




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