Horizons of Quantum Chemistry: Proceedings of the Third International Congress of Quantum Chemistry Held at Kyoto, Japan, October 29 - November 3, 19

ISBN-13: 9789400990296 / Angielski / Miękka / 2011 / 310 str.

K. Fukui; A. Pullman

Opis

Proceedings of the Third International Congress of Quantum Chemistry, held at Kyoto, Japan, October 29-November 3, 1979

Spis treści

Symposium I. New Approaches in Quantum Chemical Methodology.- to Symposium I.- Density Functional Theory of Atoms and Molecules.- Some Recent Advances in the Use of Propagator Methods in Quantum Chemistry. From Amo to Agp.- The Unitary Group Formulation of the Many-Electron Problem.- Symposium II. Bond Formation and Breaking.- Bond Formation and Breaking: The Heart of Chemistry.- Quantum Topology.- Quantum Mechanical Study of Chemical Reaction Dynamics.- Symposium III. Molecular Interactions.- Introductory Remarks to Symposium III: Molecular Interactions.- Molecular Beam Studies of Reaction Dynamics of F + H2, D2.- Intramolecular Dynamics: Regular and Stochastic Vibrational States of Molecules.- Interactions between Chiral Molecules: Discriminating Interactions.- Symposium IV. New Fields of Molecular Spectroscopy.- New Fields in Molecular Spectroscopy.- Molecular Spectroscopy Using Infrared Lasers: A Study of Radiative and Collisional Processes.- Molecules as Sources.- Symposium V. Large Molecules of Biological Importance.- The Size-Consistency Problem for Large Molecules.- Theoretical Studies of the Structure of Heme Models.- Calculations on the Mechanism of Ion Polymerization in Crystals.- AB-Initio Computations of Metal-Porphine Complexes.- Theoretical and Computational Chemistry of Complex Systems.- Index of Names.- Index of Subjects.