Maruani Molecules in Physics, Chemistry, and Biology

Electronic Structure and Chemical Reactivity
Erscheinungsjahr 2012
ISBN: 978-94-009-2853-4
Verlag: Springer Netherland
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band 3, 460 Seiten, eBook

Reihe: Topics in Molecular Organization and Engineering

Zielgruppe

Research

Autoren/Hrsg.

Maruani, J.

Inhaltsverzeichnis

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.