Perspectives in Quantum Chemistry: Plenary Lectures Presented at the Sixth International Congress on Quantum Chemistry Held in Jerusalem, Israel, Augu

ISBN-13: 9789401069175 / Angielski / Miękka / 2011 / 180 str.

Joshua Jortner; A. Pullman

Opis

The Sixth International Congress on Quantum Chemistry convened at the Campus of the Hebrew University. Jerusalem. Israel. on August 22-25. 1988. The International Congresses on Quantum Chemistry are held under the auspices of the International Academy of Quantum Molecular Science. Previous International Congresses on Quantum Chemistry were held in France. Japan, the United States, Sweden and Canada. These prestigious meetings provided a central contribution to the important modern area of theoretical chemistry. The major goals of the Sixth International Congress on Quantum Chemistry were: A) To provide an overview of recent novel developments. advances and directions of research in the broad area of quantum molecular sciences. B) To establish strong interaction between the theoretical discipline of quantum molecular sciences and experiment. The general topics of the Sixth International Congress were: a) Molecular Quantum Mechanics b) Many-Body Theory of Molecular Structure c) Intermolecular Forces d) Complexes and Clusters e) Molecular Spectroscopy f) Intramolecular Dynamics g) Chemical Reactions h) Molecular Dynamics Simulations i) Condensed-Phase Chemistry j) Surface Phenomena and Catalysis k) Quantum Biochemistry 1) Biophysics The format of the Sixth International Congress consisted of plenary lectures. symposia and poster sessions. In the opening session of the Congress. commemorative addresses were delivered in honoured memory of the late Louis de Broglie and the late Robert S. Mulliken. Nobel Prize Laureates and Members of the International Academy of Quantum Molecular Science. A com memorative symposium was devoted to the honoured memory of the late Massimo Simonetta.

Spis treści

Density Functional Methods.- Density Functional Theory.- Intermolecular Forces.- Intermolecular Forces from the Viewpoint of Quantum Electrodynamics.- Molecular Dynamics.- Intramolecular Dynamics.- Quantum Mechanics of Chemical Reactions.- Quantum Mechanics of Chemical Reactions: Recent Developments in Reactive Scattering and in Reaction Path Hamiltonians.- Kinetics in Condensed Phases.- Charge Transfer Reaction Dynamics in Solutions.- Surface Phenomena.- Concepts in Surface Science and Heterogeneous Catalysis.- Quantum Biochemistry.- Molecular Mechanisms of Specificity in DNA-Antitumor Drug Interactions.- Sixty Years Since the Heitler-London Paper.- The Origin, Development and Significance of the Heitler-London Approach.