Molecules in Physics, Chemistry, and Biology, 1989
Electronic Structure and Chemical Reactivity
Topics in Molecular Organization and Engineering Series, Vol. 3

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

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.