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Modern avenues in metal-nucleic acid chemistry
Provides a timely overview of selected relevant developments in a field which previously had a pronounced focus on fundamental chemistry aspects such as coordination principles, structural chemistry, and consequences for biological processes and disease-related medicinal issues. More recently, also as a consequence of the advent of supramolecular chemistry, advancements in nanochemistry, and new bio-analytical methods, novel aspects of this field have emerged. MILS-25 gives a state-of-the-art account on the present state of research in this field, addressing, among others, porous materials, non-covalent interactions, stimuli-responsive bioconjugates, DNA-templated metal arrays and nanoclusters, genotyping, guanine quadruplexes, and riboswitches.
Hybrid Methods of Molecular Modeling
Hybrid Methods of Molecular Modeling is a self-contained advanced review volume. It provides a step by step derivation of the consistent theoretical picture of hybrid modeling methods and a thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. The book presents its material sequentially, paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for the practical development of the robust modeling code.
Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials
Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
