Heavy atoms and their compounds are important in many areas of modern technology. Their versatility in the reactions they undergo is the reason that they can be found in most homogeneous and heterogeneous catalysts. Their magnetism is the decisive property that qualifies them as materials for modern storage devices.
The phenomena observed in compounds of heavy atoms such as phosphorescence, magnetism or the tendency for high valency in chemical reactions can to a large extent be traced back to relativistic effects in their electronic structure. Thus, in many aspects relativistic...

The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.
Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and...

This text examines the basic concepts of electron transfer, the specific charge transfer effects, and also the historical development of the subject. The first half of the book contains theory based chapters dealing with topics such as tunnel effect, Born-Oppenheimer approximations, dielectric theory, charge transfer in solids, and thermodynamic effects, while the second half contains illustrated examples of the concepts.

Providing specific knowledge in the theory of image analysis, optics, fluorescence, and imaging devices in biomedical laboratories, this timely and indispensable volume focuses on the theory and applications of detection, morphometry, and motility measurement techniques applied to bacteria, fungi, yeasts and protozoa.

Methods of Electronic-Structure Calculations From Molecules to Solids Michael Springborg Department of Chemistry, University of Konstanz, Germany Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations. This title bridges that gap, focusing equally on both types of method, including density-functional and...

Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations. This title bridges that gap, focusing equally on both types of method, including density-functional and HartreeFock-based approaches. The book is aimed at final-year undergraduate and postgraduate students of both chemistry and of physics. It...

Metal clusters are aggregates of metal atoms whose study is of active interest across a broad range of fields, from theoretical chemistry through to condensed matter physics and materials science.

Used in materials science, physical chemistry and physics, density functional methods provide a unifying description of electronic properties applicable to all materials while also giving specific information on the system under study. A large number of very different materials and systems (atoms, molecules, macromolecules, clusters, bulk solids, surfaces and interfaces) are presently being studied with methods based on density functional formalism. Density Functional Methods in Chemistry and Materials Science reports the results of this research. This book will be of particular interest to...