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Informationen zum Autor Prof. Dr. Michael Springborg heads up of the three groups in Physical Chemistry at the University of Saarland where the main activities concentrate on teaching and research. The major part of Prof. Dr. Michael Springborg's research concentrates on the development and application of theoretical methods, including accompanying computer programs, for the determination of materials properties. Quantum theory forms the theoretical foundation for most of our work. The materials of the group's interest range from atoms, via clusters and polymers, to solids. They study their structural, electronic, energetic, and opitcal properties. Klappentext With more than 12,000 articles being published each year in the field of Chemical Modelling it can be difficult to keep abreast of current thinking and developments. The Specialist Periodical Report, Chemical Modelling: Applications and Theory comprises critical and comprehensive literature reviews of all aspects of molecular modelling and covers approximately the last 12 months of published primary literature. An essential resource for any chemical modeller, each volume contains chapters providing a selective review of recent literature, incorporating sufficient historical perspective for students and those new to the field to gain full understanding. Chemical Modelling is now indexed in Scopus. Zusammenfassung Reflecting the growing volume of published work in this field! researchers will find this book an invaluable source of information on current chemical modelling methods and applications. Inhaltsverzeichnis Preface; Uncovering molecular secrets of ionic liquids; interaction-induced electric properties; Modeling biological cells; Particle based multiscale simulation methods and applications; Size-dependent electronic structure of semiconductor nanoparticles; On choosing the best density functional approximation; Molecular dynamics simulation of ionic liquids adsorbed onto a solid surface and confined in nanospace...
