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Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors a
Reactivity (Chemistry) --- Chemistry. --- Physical sciences --- Chemical reaction, Conditions and laws of --- Chemical reactions
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La notion d'activité chimique en thermodynamique intéresse des chimistes et physiciens. Ce livre est un essai de synthèse de travaux théoriques pouvant permettre la compréhension de la signification physique profonde de la grandeur "activité". Bien que ce concept soit manipulé depuis un siècle avec succès, sa signification en termes de grandeurs moléculaires reste bien mystérieuse à l'heure actuelle, y compris pour ses "praticiens". Le livre comprend deux grandes parties et est suivi de quelques appendices. La première partie traite le concept d'activité en thermodynamique classique ; la deuxième partie concerne le concept d'activité considéré sous l'angle de la thermodynamique statistique. Des appendices, le plus souvent d'ordre mathématique, sont placés en fin de livre ; ils ont pour objet de raccourcir les développements généraux.
Activity coefficients. --- Activity theory --- Chemical kinetics --- Chemical reaction, Conditions and laws of
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The value of the critical temperature (Tc), below which the thermal explosion of a chemical cannot occur, is indispensable to prevent such a chemical from exploding. In order to determine the Tc it has so far been necessary to measure the value in explosion experiments. Because of the inherent hazards, only few Tc values are available at present. Critical Temperatures for the Thermal Explosion of Chemicals introduces new and simple procedures to calculate the Tc. As a result Tc can be calculated for a range of chemicals, man
Chemical kinetics --- Chemicals --- Chemical reaction, Conditions and laws of --- Temperature --- Effect of temperature on. --- Safety measures.
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Passivation of Metals and Semiconductors, and Properties of Thin Oxide Layers contains a selection of papers presented at PASSIVITY-9, the 9th International Symposium on the Passivation of Metals and Semiconductors and the Properties of Thin Oxide Layers, which was held in Paris, 27 June - 1 July, 2005. One hundred and twelve peer-reviewed manuscripts have been included. The book covers all the fundamental and applied aspects of passivity and provides a relevant and updated view of the advances and new trends in the field. It is structured in ten sections: Growth,
Passivity (Chemistry) --- Electrochemistry --- Metals --- Semiconductors --- Corrosion and anti-corrosives --- Oxide coating --- Chemical reaction, Conditions and laws of --- Protective coatings --- Thin films
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This is a treatise on organic chemistry intended as a handbook for students. It combines both definitions and examples according to a logical order. This is a new reference book.
Chemistry, Organic. --- Stereochemistry. --- Reactivity (Chemistry) --- Chemical reaction, Conditions and laws of --- Chemical reactions --- Atoms --- Molecular asymmetry --- Chemical structure --- Chemistry --- Isomerism --- Polarization (Light) --- Organic chemistry --- Space arrangement
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This well-illustrated book develops, using only the ideas of basic quantum chemistry (e.g. perturbation and symmetry theory), a fundamental conceptual and theoretical framework for chemical reactivity. By feeding the role of symmetry and chemical group topology directly into the development, the analysis generates and explains the successful features of simpler reactivity theories (e.g. frontier orbital theory, the isolobal concept, PMO theory, the Woodward-Hoffmann rules), as well as defines their limitations. The unifying construct is that of a group-resolved correlation diagram, which is sh
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Charge Sensitivity Analysis (CSA) represents a linear response treatment of molecular systems, based upon the chemical potential and hardness/softness concepts established within density functional theory (DFT). Recently, it has been shown to provide an attractive framework leading to novel approaches to chemical reactivity of open systems. The monograph presents the conceptual and methodological basis of the CSA covering its DFT roots, alternative resolutions and representations, sensitivities of closed and open atomic and molecular systems, charge stability criteria and relaxational effects
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