Reaction Dynamics in Clusters and Condensed Phases

Reaction Dynamics in Clusters and Condensed Phases
Author: Joshua Jortner
Publisher: Springer Science & Business Media
Total Pages: 562
Release: 2012-12-06
Genre: Science
ISBN: 9401107866

The Twenty Sixth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics
Author: Bruce J Berne
Publisher: World Scientific
Total Pages: 881
Release: 1998-06-17
Genre: Science
ISBN: 9814496057

The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

Chemical Reactions in Clusters

Chemical Reactions in Clusters
Author: Elliot R. Bernstein
Publisher: Oxford University Press
Total Pages: 272
Release: 1996-06-06
Genre: Science
ISBN: 0195090047

This work covers important new developments since 1990 in the area of cluster chemistry. The cluster reactions reviewed in this work include electron and proton transfer reactions, hot atom reactions, vibrational predissociation, radical reactions and ionic reactions.

Molecular Reaction Dynamics

Molecular Reaction Dynamics
Author: Raphael D. Levine
Publisher: Cambridge University Press
Total Pages: 574
Release: 2009-06-04
Genre: Technology & Engineering
ISBN: 9781139442879

Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.

Analysis and Control of Ultrafast Photoinduced Reactions

Analysis and Control of Ultrafast Photoinduced Reactions
Author: Oliver Kühn
Publisher: Springer Science & Business Media
Total Pages: 855
Release: 2007-02-05
Genre: Science
ISBN: 3540680373

This book summarizes several years of research carried out by a collaboration of many groups on ultrafast photochemical reactions. It emphasizes the analysis and characterization of the nuclear dynamics within molecular systems in various environments induced by optical excitations and the study of the resulting molecular dynamics by further interaction with an optical field.

Quantum Phenomena in Clusters and Nanostructures

Quantum Phenomena in Clusters and Nanostructures
Author: Shiv N. Khanna
Publisher: Springer Science & Business Media
Total Pages: 277
Release: 2013-03-09
Genre: Science
ISBN: 3662026066

Clusters represent a new class of materials with totally new applications. This broad-ranging book presents and evaluates some of the latest developments in this area. The authors present some of the important recent advances made through the use of new experimental techniques and theoretical approaches.

Unimolecular Reaction Dynamics

Unimolecular Reaction Dynamics
Author: Tomas Baer
Publisher: Oxford University Press
Total Pages: 447
Release: 1996-06-27
Genre: Science
ISBN: 0195360591

This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.

Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters

Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters
Author: Takayuki Ebata
Publisher: Springer
Total Pages: 393
Release: 2019-08-02
Genre: Science
ISBN: 9811393710

This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.