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The theoretical treatment of chemical reaction dynamics has undergone spectacular development during the last few years, prompted by experimental progress. Beam production, spectroscopic detection using high resolution, polarized lasers allowing energy and angular momentum selection, etc. have advanced so much that the experiments now offer detailed scattering information for theory to explain and rationalize. At the same time, advances in computing and networking technologies for heterogeneous and grid environments afford new possibilities for theoretical studies of chemical reactivity. As a
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"International journal solely dedicated to fundamental and applied aspects of chemical reactions taking place at the electrode and driven through the application of an electrical field"--V. 1, no. 1, p. [1].
Electrocatalysis --- Chemistry --- General and Others --- Catalysis --- Electrochemistry --- Electrochemical analysis --- Reaction mechanisms (Chemistry) --- Electrocatalysis. --- Electrochemical analysis. --- Electrochemistry. --- Inorganic reaction mechanisms --- Mechanisms, Inorganic reaction --- Mechanisms, Reaction (Chemistry) --- Reaction mechanisms, Inorganic --- Chemical reaction, Conditions and laws of --- Chemistry, Physical and theoretical --- Analysis, Electrochemical --- Analysis, Electrolytic --- Electroanalysis --- Electrolytic analysis --- Chemistry, Analytic --- Quantitative --- Physical & Theoretical Chemistry --- Analytical chemistry
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This unique book, drawing on the author’s lifetime experience, critically evaluates the extensive literature on the field of Metal-Catalysed Reactions of Hydrocarbons. Emphasis is placed on reaction mechanisms involving hydrogenation, hydrogenolysis, skeletal and positional isomerisation, and exchange reactions. The motivation for fundamental research in heterogeneous catalysis is to identify the physicochemical characteristics of active centres for the reaction being studied, to learn how these may be modified or manipulated to improve the desired behavior of the catalyst, and to recognize and control those aspects of the catalyst's structure that limit its overall performance. By restricting the subject of the book to hydrocarbons, Bond has progressively developed the subject matter to include areas of importance both to researchers and to those working in the industry.
Hydrocarbons. --- Catalysis. --- Metals --- Reaction mechanisms (Chemistry) --- Surfaces. --- Activation (Chemistry) --- Chemistry, Physical and theoretical --- Surface chemistry --- Inorganic reaction mechanisms --- Mechanisms, Inorganic reaction --- Mechanisms, Reaction (Chemistry) --- Reaction mechanisms, Inorganic --- Chemical reaction, Conditions and laws of --- Metal surfaces --- Metallic surfaces --- Physical metallurgy --- Organic compounds --- Surface properties --- Chemistry, Organic. --- Chemical engineering. --- Chemistry, Physical organic. --- Organic Chemistry. --- Industrial Chemistry/Chemical Engineering. --- Physical Chemistry. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Industrial --- Engineering, Chemical --- Industrial chemistry --- Engineering --- Chemistry, Technical --- Metallurgy --- Organic chemistry --- Chemistry --- Organic chemistry. --- Physical chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry
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Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
chemie --- Numerical analysis --- Computer. Automation --- algoritmen --- Statistical physics --- informatica --- Atomic physics --- Plasma physics --- Chemistry --- numerieke analyse --- General biophysics --- plasmafysica --- fysicochemie --- biofysica --- statistiek --- Physicochemistry --- fysica --- Gibbs' free energy --- Thermodynamics --- Thermodynamique --- General and Others --- Chemistry. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Physics. --- Atoms. --- Biophysics. --- Biological physics. --- Statistical physics. --- Dynamical systems. --- Theoretical and Computational Chemistry. --- Physical Chemistry. --- Numerical and Computational Physics. --- Statistical Physics, Dynamical Systems and Complexity. --- Atomic, Molecular, Optical and Plasma Physics. --- Biophysics and Biological Physics. --- Linear free energy relationship --- Computer simulation. --- Physical sciences --- Correlation analysis (Chemistry) --- Correlation equation (Chemistry) --- Free energy relationship, Linear --- Chemical reaction, Conditions and laws of --- Chemistry, Physical organic. --- Numerical and Computational Physics, Simulation. --- Complex Systems. --- Biological and Medical Physics, Biophysics. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Biological physics --- Biology --- Medical sciences --- Physics --- Matter --- Stereochemistry --- Dynamical systems --- Kinetics --- Mathematics --- Mechanics, Analytic --- Force and energy --- Mechanics --- Statics --- Mathematical statistics --- Natural philosophy --- Philosophy, Natural --- Dynamics --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Constitution --- Statistical methods
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Modern energetic materials include explosives, blasting powders, pyrotechnic m- tures and rocket propellants [1, 2]. The study of high-temperature decomposition of condensed phases of propellants and their components (liquid, solid and hybrid) is currently of special importance for the development of space-system engineering [3, 4]. To better understand the burning mechanisms (stationary, nonstationary, - steady) of composite solid propellants and their components, information about the macrokinetics of their high-temperature decomposition is required [5]. To be able to evaluate the ignition parameters and conditions of safe handling of heat-affected explosives, one needs to know the kinetic constants of their high-temperature - composition. The development of new composite solid propellants characterized by high performance characteristics (high burning rates, high thermal stability, stability to intrachamber perturbations, and other aspects) is not possible without quanti- tive data on the high-temperature decomposition of composite solid propellants and their components [6]. The same reasons have resulted in signi?cant theoretical and practical interest in the high-temperature decomposition of components of hybrid propellants. It is known that hybrid propellants have not been used very widely due to the low bu- ing (pyrolysis) rates of the polymer blocks in the combustion chambers of hybrid rocket engines. To increase the burning rates it is necessary to obtain information about their relationships to the corresponding kinetic and thermophysical prop- ties of the fuels.
Chemical kinetics --- Combustion. --- High temperature chemistry. --- Effect of temperature on. --- Chemical reaction, Conditions and laws of --- Temperature --- Thermochemistry --- Heat --- Smoke --- Chemicals --- Engineering. --- Chemistry, Physical organic. --- Materials. --- Thermodynamics. --- Safety in Chemistry, Dangerous Goods. --- Engineering Thermodynamics, Heat and Mass Transfer. --- Physical Chemistry. --- Materials Science, general. --- Structural Materials. --- Safety measures. --- Construction --- Industrial arts --- Technology --- Chemistry, Physical and theoretical --- Dynamics --- Mechanics --- Physics --- Heat-engines --- Quantum theory --- Engineering --- Engineering materials --- Industrial materials --- Engineering design --- Manufacturing processes --- Chemistry, Physical organic --- Chemistry, Organic --- Materials --- Chemistry. --- Heat engineering. --- Heat transfer. --- Mass transfer. --- Physical chemistry. --- Materials science. --- Structural materials. --- Architectural materials --- Architecture --- Building --- Building supplies --- Buildings --- Construction materials --- Structural materials --- Material science --- Physical sciences --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Mass transport (Physics) --- Thermodynamics --- Transport theory --- Heat transfer --- Thermal transfer --- Transmission of heat --- Energy transfer --- Mechanical engineering
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Organized to facilitate reference to the reagents involved, this book describes the reactions of the elements and their mostly simpler compounds, primarily inorganic ones and primarily in water. It emphasizes the similarities and differences in actual chemical behavior, as opposed to electronic structures and theories, although not exclusively. Inorganic Reactions in Water again makes available some of the more comprehensive coverage of descriptive aqueous chemistry found in older sources, but now corrected and interpreted with the added insights of the last seven decades. It also provides new information, including reactions of the recently discovered elements, plus some recent data on equilibria, often with mostly qualitative kinetic information, to interpret the redox and non-redox phenomena that complicate the chemistry of most elements in water.
Reaction mechanisms (Chemistry) --- Water. --- Chemical tests and reagents. --- Chemistry, Inorganic. --- Inorganic chemistry --- Chemistry --- Inorganic compounds --- Chemical reagents --- Reagents, Chemical --- Indicators and test-papers --- Hydrology --- Inorganic reaction mechanisms --- Mechanisms, Inorganic reaction --- Mechanisms, Reaction (Chemistry) --- Reaction mechanisms, Inorganic --- Chemical reaction, Conditions and laws of --- Chemistry, inorganic. --- Analytical biochemistry. --- Chemistry, Organic. --- Chemistry, Physical organic. --- Biochemistry. --- Inorganic Chemistry. --- Analytical Chemistry. --- Organic Chemistry. --- Physical Chemistry. --- Biochemistry, general. --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Biology --- Medical sciences --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Organic chemistry --- Analytic biochemistry --- Biochemistry --- Chemistry, Analytic --- Composition --- Bioanalytic chemistry --- Bioanalytical chemistry --- Analytical chemistry --- Inorganic chemistry. --- Analytical chemistry. --- Organic chemistry. --- Physical chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Analysis, Chemical --- Analytic chemistry --- Chemical analysis
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Heterogeneous photocatalysis is a novel technique for water purification. Publications on photocatalysis span a relatively recent period of not more than 25 years. This is a technique that, according to our extensive experience on the development of laboratory scale and pilot plant units, has great promise to eliminate water and air pollutants. Photocatalysis offers much more than competitive techniques where pollutants are transferred from phases; photocatalysis can achieve complete mineralization of pollutants leaving non-toxic species such as CO2 and H2O and can be exploited at close to room temperature and ambient pressure.
Photocatalysis. --- Reaction mechanisms (Chemistry) --- Chemical engineering. --- Chemistry, Industrial --- Engineering, Chemical --- Industrial chemistry --- Engineering --- Chemistry, Technical --- Metallurgy --- Inorganic reaction mechanisms --- Mechanisms, Inorganic reaction --- Mechanisms, Reaction (Chemistry) --- Reaction mechanisms, Inorganic --- Chemical reaction, Conditions and laws of --- Catalysis --- fysicochemie --- Photochemistry --- Environmental protection. --- Environmental pollution. --- Industrial Chemistry/Chemical Engineering. --- Atmospheric Protection/Air Quality Control/Air Pollution. --- Waste Water Technology / Water Pollution Control / Water Management / Aquatic Pollution. --- Chemical pollution --- Chemicals --- Contamination of environment --- Environmental pollution --- Pollution --- Contamination (Technology) --- Asbestos abatement --- Bioremediation --- Environmental engineering --- Environmental quality --- Factory and trade waste --- Hazardous waste site remediation --- Hazardous wastes --- In situ remediation --- Lead abatement --- Pollutants --- Refuse and refuse disposal --- Environmental quality management --- Protection of environment --- Environmental sciences --- Applied ecology --- Environmental policy --- Environmental aspects --- Air pollution. --- Water pollution. --- Aquatic pollution --- Fresh water --- Fresh water pollution --- Freshwater pollution --- Inland water pollution --- Lake pollution --- Lakes --- Reservoirs --- River pollution --- Rivers --- Stream pollution --- Water contamination --- Water pollutants --- Water pollution --- Waste disposal in rivers, lakes, etc. --- Air --- Air contaminants --- Air pollutants --- Air pollution --- Air pollution control --- Air toxics --- Airborne pollutants --- Atmosphere --- Contaminants, Air --- Control of air pollution --- Pollutants, Air --- Toxics, Air --- Air quality --- Atmospheric deposition --- Control
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