Photodeactivation Channels of Transition Metal Complexes:
A Computational Chemistry Perspective . . . . . . . . . . . . . . . . . . . . . . . . 259
Daniel Escudero
Mechanism and Kinetics in Homogeneous Catalysis:
A Computational Viewpoint . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 289
Jeremy N. Harvey
Computational Modelling of Structure and Catalytic Properties
of Silica-Supported Group VI Transition Metal Oxide Species . . . . . . . 315
Jarosław Handzlik
Catalytic Properties of Selected Transition
Metal Oxides—Computational Studies . . . . . . . . . . . . . . . . . . . . . . . . . . 345
Witold Piskorz and Filip Zasada
Molecular Electrochemistry of Coordination Compounds—A
Correlation Between Quantum Chemical Calculations
and Experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 409
Piotr P. Romańczyk and Stefan S. Kurek
The Quest for Accurate Theoretical Models of Metalloenzymes:
An Aid to Experiment . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 439
Matthew G. Quesne and Sam P. de Visser
Applications of Computational Chemistry to Selected Problems
of Transition-Metal Catalysis in Biological and Nonbiological
Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 463
Hajime Hirao
How Metal Coordination in the Ca-, Ce-, and Eu-Containing
Methanol Dehydrogenase Enzymes Can Influence the Catalysis:
A Theoretical Point of View . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 487
Tiziana Marino, Mario Prejanò and Nino Russo
Challenges in Modelling Metalloenzymes . . . . . . . . . . . . . . . . . . . . . . . . 503
Tomasz Borowski and Maciej Szaleniec
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 527
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