Description
Zwischen Moleklen knnen Krfte sehr unterschiedlicher Strke wirken. Hier finden Sie eine Einfhrung in die theoretische Behandlung aller dieser Krfte – von schwach gebundenen van-der-Waals-Komplexen bis zur sehr starken interionischen Wechselwirkung – anhand vieler Beispiele. Sie lernen, wie Sie fr jedes Problem die richtige Methode auswhlen knnen. Aus dem Inhalt: Symmetry – Adapted Peturbation Theory of Intermolecular Interactions; Ab Initio Studies of Nonadditive Interactions; Basis Set Superposition Error; Theory and Computation of Vibration, Rotation, and Tunnelling of van der Waals Complexes and Their Spectra; The Quest for Reliability in Calculated Properties of Hydrogen-Bonded Complexes; Ab Initio Predictions of the Vibrational Spectra of some Molecular Complexes. Comparison with Experiment; Conventional and Unconventional Hydrogen-Bonded Ionic Cluster; Case Studies on Cooperativity in Hydrogen-Bonded Clusters and Polymers; Neutral Chain-Like and Cyclic Clusters of Hydrogen Fluoride and Hydrogen Cyanide and Charged Defects on Chain-Like Hydrogen Fluoride Oligomers; Electrostatic Forces in Molecular Interactions. @d:READERSHIP Advanced Graduate Students and Researchers
