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Practical Aspects of Computational Chemistry III
Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate and PhD students as well as established researchers.
Handbook of Nanophysics
Handbook of Nanophysics: Functional Nanomaterials illustrates the importance of tailoring nanomaterials to achieve desired functions in applications. Each peer-reviewed chapter contains a broad-based introduction and enhances understanding of the state-of-the-art scientific content through fundamental equations and illustrations, some in color.This
Structure and Properties of Clusters: from a few Atoms to Nanoparticles
This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles. Special emphasis is given to bringing forth new insights on the structure and properties of these systems with an eye towards potential applications in Materials Science. Overal, the volume presents to the readers an amazing wealth of new results. Particular subjects include water clusters, Silicon, Iron, Nickel and Gold clusters, carbon-titanium microclusters and nanoparticles, fullerenes, carbon nanotubes, chiral carbon nanotubes, boron nanoclusters and more.
Local Order in Condensed Matter Physics
Many of the observed electronic properties of condensed matter systems such as clusters of atoms, solids with long or short range order (amorphous and liquid metals) are governed by the local atomic arrangements around the probe site. The topics in this important volume include: Molecules and clusters; Point defects and defect complexes in solids; Hydrogen and positive muons in metals and semiconductors; Disordered solids and liquid metals; Diffusion and clustering in bulk, on surfaces; and other restricted geometry; High temperature superconductors including C60 assembled materials.
Molecular Materials with Specific Interactions - Modeling and Design
Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
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