Molecules in Physics, Chemistry, and Biology: Electronic Structure and Chemical Reactivity

Front Matter....Pages i-xxii
Front Matter....Pages 1-1
The Molecule as a Many-Electron System: Electron Densities and Molecular Properties....Pages 3-30
Analysis of the Electronic Density as a Support of the Concepts of Empirical Structural Chemistry....Pages 31-47
Molecules as Ensembles of Modified Atoms....Pages 49-72
The Physical Basis of the Lewis Electron Pair Model....Pages 73-92
The Chemical Bond and Model Exchange-Correlation Potentials....Pages 93-110
Study of Chemical Bonding in Molecules: The Interest of Polarised Neutron Diffraction....Pages 111-147
A Valence Concept for Molecular Structure and Reactions....Pages 149-170
Front Matter....Pages 171-171
On the Role of the Orbital Interaction Concept in the Interpretation of Organic Free Radical Structures and Reactivities....Pages 173-219
Theoretical Studies on the Reactions of Free Radicals....Pages 221-231
Thermochemistry and Kinetics of Ionic and Radical Reactions in the Gas Phase....Pages 233-257
Hydrocarbon Radical Cations in Condensed Phases....Pages 259-300
Recent Developments in Calixarenes and Their Properties....Pages 301-336
Front Matter....Pages 337-337
The Reaction-Rate Approach in Physics, Chemistry, and Biology....Pages 339-355
A Theoretical Study of the Unimolecular Dissociation of Diborane....Pages 357-363
Mode Selective Bimolecular Reactions....Pages 365-404
An Overview of the Theory of Chemical Reactions and Reactivity in Enzymes and Solutions....Pages 405-422
Back Matter....Pages 423-431