Electronic structure and chemical reactivity
著者
書誌事項
Electronic structure and chemical reactivity
（Topics in molecular organization and engineering / honorary chief editor, W.N. Lipscomb ; executive editor, Jean Maruani, . Molecules in physics,
Kluwer Academic Pub., c1989
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注記
Includes bibliographies and index
内容説明・目次
内容説明
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
目次
Density Functions and Electronic Structure.- The Molecule as a Many-Electron System: Electron Densities and Molecular Properties.- Analysis of the Electronic Density as a Support of the Concepts of Empirical Structural Chemistry.- Molecules as Ensembles of Modified Atoms.- The Physical Basis of the Lewis Electron Pair Model.- The Chemical Bond and Model Exchange-Correlation Potentials.- Study of Chemical Bonding in Molecules: The Interest of Polarised Neutron Diffraction.- A Valence Concept for Molecular Structure and Reactions.- Structure and Reactivity of Organic Compounds.- On the Role of the Orbital Interaction Concept in the Interpretation of Organic Free Radical Structures and Reactivities.- Theoretical Studies on the Reactions of Free Radicals.- Thermochemistry and Kinetics of Ionic and Radical Reactions in the Gas Phase.- Hydrocarbon Radical Cations in Condensed Phases.- Recent Developments in Calixarenes and their Properties.- Theoretical Approaches to Chemical Reactions.- The Reaction-Rate Approach in Physics, Chemistry, and Biology.- A Theoretical Study of the Unimolecular Dissociation of Diborane.- Mode Selective Biomolecular Reactions.- An Overview of the Theory of Chemical Reactions and Reactivity in Enzymes and Solutions.
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