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Structure and Function, by Peter Comba (Ed.)
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The art of chemistry is to thoroughly understand the properties of molecular compounds and materials and to be able to prepare novel compounds with p- dicted and desirable properties. The basis for progress is to fully appreciate and fundamentally understand the intimate relation between structure and function. The thermodynamic properties (stability, selectivity, redox potential), reactivities (bond breaking and formation, catalysis, electron transfer) and electronic properties (spectroscopy, magnetism) depend on the structure of a compound. Nevertheless, the discovery of novel molecular compounds and materials with exciting prop- ties is often and to a large extent based on serendipity. For compounds with novel and exciting properties, a thorough analysis of experimental data – state-of-the-art spectroscopy, magnetism, thermodynamic properties and/or detailed mechanistic information – combined with sophisticated electronic structure calculations is p- formed to interpret the results and fully understand the structure, properties and their interrelation. From these analyses, new models and theories may emerge, and this has led to the development of ef cient models for the design and interpre- tion of new materials and important new experiments. The chapters in this book therefore describe various fundamental aspects of structures, dynamics and physics of molecules and materials. The approaches, data and models discussed include new theoretical developments, computational studies and experimental work from molecular chemistry to biology and materials science.
- Sales Rank: #3593694 in eBooks
- Published on: 2009-12-02
- Released on: 2009-12-02
- Format: Kindle eBook
About the Author
Peter Comba is Professor of Inorganic Chemistry at the University of Heidelberg, Germany. He obtained his Ph.D. from the University of NeuchA[tel, France, in 1981. He became lecturer in Basel in 1992 and was shortly afterwards called to Heidelberg. He received the Humboldt and South Africa Research Awards in 2000 and spent visiting professorships in Leiden, the Netherlands, ANU and Pretoria. His research is divided between theory and practice of transition metal coordination chemistry - molecular modeling, thermodynamics, kinetics and mechanisms on the one hand, and synthesis, metal-based template reactions, catalysis and magnetochemistry on the other.
Trevor Hambley is Associate Professor at Sydney University, Australia. He received his Ph.D. in 1982 frm the University of Adelaide, followed by a postdoctoral stay at Australia National University. He received the Edgeworth David Medal in 1989 and the SUPRA Supervisor of the Year and Excellence in Teaching Award in 1997 and 1998, respectively. His research interests are focused on Pt anti-cancer drugs, dihydrorotase and matrix metalloproteinase Inhibitors, crystal structure analysis and drug design, molecular mechanics and metal complexes as well as crystallography.
Bodo Martin is a computational chemist with Peter Comba at Heidelberg University. He obtained his Ph.D in Organic Chemistry in 2004 from the University of Erlangen, Germany, while researching in the group of Tim Clark.
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