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Molecular Simulations
Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations This book introduces the fundamentals of molecular simulations for a broad, practice-oriented audience and presents a thorough overview of the underlying concepts. It covers classical mechanics for many-molecule systems as well as force-field models in classical molecular dynamics; introduces probability concepts and statistical mechanics; and analyzes numerous simulation methods, techniques, and applications. Molecular Simulations: Fundamentals and Practice starts by covering Newton's equations, which form the basis of classical mechanics, then continues o...
Molecular Simulations
Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations This book introduces the fundamentals of molecular simulations for a broad, practice-oriented audience and presents a thorough overview of the underlying concepts. It covers classical mechanics for many-molecule systems as well as force-field models in classical molecular dynamics; introduces probability concepts and statistical mechanics; and analyzes numerous simulation methods, techniques, and applications. Molecular Simulations: Fundamentals and Practice starts by covering Newton's equations, which form the basis of classical mechanics, then continues o...
Clathrate Hydrates, 2 Volumes
Clathrate Hydrates All-inclusive reference on clathrate hydrates from a molecular perspective Clathrate hydrates are crystalline water-based inclusion compounds many of which form at high pressures and low temperatures. Molecular science has provided the foundation for many areas of modern hydrate research and applications ranging from desalination processes to flow assurance in oil and gas pipelines. Clathrate Hydrates provides detailed information on the molecular science aspects of hydrate research, covering the structural, compositional, spectroscopic, thermodynamic, and mechanical properties of clathrate hydrates as well as simulation methods and selected engineering applications. Edite...
Chemistry at Extreme Conditions
Chemistry at Extreme Conditions covers those chemical processes that occur in the pressure regime of 0.5–200 GPa and temperature range of 500–5000 K and includes such varied phenomena as comet collisions, synthesis of super-hard materials, detonation and combustion of energetic materials, and organic conversions in the interior of planets. The book provides an insight into this active and exciting field of research. Written by top researchers in the field, the book covers state of the art experimental advances in high-pressure technology, from shock physics to laser-heating techniques to study the nature of the chemical bond in transient processes. The chapters have been conventionally o...
Directory of Graduate Research
Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
Synthesis, Characterization and Properties of Energetic/reactive Nanomaterials
The advent of nanomaterials has introduced a new dimension in applications of energetic and reactive materials. A fundamental understanding of their synthesis mechanisms, atomic- and molecular-scale structural characteristics, and an evaluation of properties combined with modeling of the limits to those properties are required to realize the full potential of energetic and reactive nanomaterials. Many techniques have been recently developed that make it possible to exploit the benefits of the "nano" structure and design materials with desired energy release rates and energy densities, while they also improve their safety, reliability and load-bearing capability. Advances in modeling and char...
Modern Tendencies in Organic and Bioorganic Chemistry
This volume includes the following analyses: factors regarding thermal and thermooxidative degradation of polyolefine nanocomposites, modelling of catalytic complexes in the oxidation reactions, modelling the kinetics of moisture adsorption by natural and synthetic polymers, new trends, achievements and developments on the effects of beam radiation, structural behaviour of composite materials, comparative evaluation of antioxidant properties, synthesis, properties and application of polymeric composites and nanocomposites, photodegradation and light stabilisation of polymers, wear resistant composite polymeric materials, some macrokinetic phenomena, transport phenomena in polymer matrixes, liquid crystals, flammability of polymeric materials and new flame retardants.
