Tunneling: Proceedings of the Nineteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry Held in Jerusalem, Israel, May

ISBN-13: 9789401086110 / Angielski / Miękka / 2013 / 425 str.

Joshua Jortner;A. Pullman

Opis

Proceedings of the Nineteenth Jerusalem Symposium in Quantum Chemistry and Biochemistry, held in Jerusalem, Israel, May 5-8, 1986

Spis treści

Tunneling and Dynamic Tunneling by an Algebraic Approach..- Uniform Quantization of Multidimensional Systems.- Mean-Field Approach to Vibrational Energy Levels and Tunneling Dynamics in Poly atomic Systems.- Conformational Changes on Excitation of MnO-4 Type d° Tetroxo Anions in Crystals.- The Jahn-Teller Effect in Isolated Molecules: from the Dynamical Effects Occuring for Small Barriers to Typical Tunneling in Deeply Distorted Configurations.- Simplified Path Integral Treatment of Tunnelling.- Tunneling — Quantum Restoration of Classically Broken Symmetries.- Reaction Paths and Surfaces for Hydrogen Atom Transfer Reactions in Polyatomic Molecules.- Optical Studies of Proton Transfer Processes at Low Temperatures in Hydrogen Bonded Molecular Crystals.- Hydrogen Tunneling in Chemical Reactions. Comparison of the Golden-Rule Approach with Transition-State Theory.- Tunneling Mediated by Heavy Large Amplitude Motion.- Some Practical Aspects of Tunneling in Unimolecular Reactions.- The Role of Dissipation in Quantum Tunneling.- Transition State Theory for Tunneling in Dissipative Systems.- Quantum Dynamical Simulations of Tunneling Systems.- Activated Hydrogen Atom Tunneling Reactions in Solution.- The Quantum Kramers’ Problem in the Underdamped Limit.- Relaxation Processes in Glasses at Low Temperature.- Coherent Voltage Oscillations in Ultra-Small Capacitance Structures.- Surface States of Electrons on Alkali-Halide Clusters.- The Chemisorbed State of Hydrogen on a Metal Surface Studied via Quantum Path Integral Molecular Dynamics Simulations.- Tunneling in Surface Diffusion.- Low Temperature Atom Diffusion on Surfaces: Tunneling and Energy Band Structure.- Ab Initio Models for Electron Tunnelling Between Transition Metal Complexes.- Electron Transfer Between Self Trapped (Solitary) States.- Role of Steric Repulsions in the Electron Transfer Between Ferrous and Ferric Ions in Water.- Role of Intramolecular Bridges on Electron Transfer in Donor/Acceptor Systems.- Environmental Modulation of the Electronic Factor in Electron Transfer Rate Theory, and Implications for the Primary Steps in Bacterial Photosynthesis.- Does Cytochrome Oxidation in Bacterial Photosynthesis Manifest Tunneling Effects ?.- What can be learned from Low Temperature Reactivity on Room Temperature Rebinding Kinetics of Heme Proteins ?.- Model Studies of Protein Dynamics. The Role of Potential Energy Surface. Friction and Entropy.- Structural Disorder in Myoglobin at Low Temperatures.- Two-Level Systems in Proteins: Thermodynamic and Dynamic Effects.- Resonance Tunneling and Its Applications.- Index of Subjects.