Reaction Dynamics in Clusters and Condensed Phases
Reaction Dynamics in Clusters and Condensed Phases

Author: Joshua Jortner

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 562

ISBN-13: 9401107866

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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.

Water in Confining Geometries
Water in Confining Geometries

Author: V. Buch

Publisher: Springer Science & Business Media

Published: 2013-03-09

Total Pages: 466

ISBN-13: 3662052318

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Written by leading experts in the field, this book gives a wide-ranging and coherent treatment of water in confining geometries. It compiles and relates interdisciplinary work on this hot topic of research important in many areas of science and technology.

Spectroscopic Investigations of Hydrogen Bond Network Structures in Water Clusters
Spectroscopic Investigations of Hydrogen Bond Network Structures in Water Clusters

Author: Kenta Mizuse

Publisher: Springer Science & Business Media

Published: 2013-01-22

Total Pages: 187

ISBN-13: 4431543120

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The properties and nature of water clusters studied with novel spectroscopic approaches are presented in this thesis. Following a general introduction on the chemistry of water and water clusters, detailed descriptions of the experiments and analyses are given. All the experimental results, including first size-selective spectra of large clusters consisting of 200 water molecules, are presented with corresponding analyses. Hitherto unidentified hydrogen bond network structures, dynamics, and reactivity of various water clusters have been characterized at the molecular level. The main targets of this book are physical chemists and chemical physicists who are interested in water chemistry or cluster chemistry.

Ab Initio Molecular Dynamics
Ab Initio Molecular Dynamics

Author: Dominik Marx

Publisher: Cambridge University Press

Published: 2009-04-30

Total Pages: 503

ISBN-13: 1139477196

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Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

Vibrational Dynamics Of Molecules
Vibrational Dynamics Of Molecules

Author: Joel M Bowman

Publisher: World Scientific

Published: 2022-06-14

Total Pages: 603

ISBN-13: 9811237921

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Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.

Cluster Dynamics
Cluster Dynamics

Author:

Publisher: Royal Society of Chemistry

Published: 2001

Total Pages: 538

ISBN-13:

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Dynamical processes in a cluster environment are presented. The experimental and theoretical papers include work on: reactions of clusters, photodynamics, caging effects, tunneling, global potential energy surfaces, transition state spectroscopy and reactions induced by clustering. Faraday Discussions documents a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.

Water
Water

Author: Ralf Ludwig

Publisher: Wiley-VCH Verlag GmbH

Published: 2011

Total Pages: 0

ISBN-13: 9783527324095

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Covering the scope of current water research from the physical chemistry viewpoint, this long-awaited book focuses on the structure, dynamics and properties of water and solutions. The authors are chosen in such a way that teams treat each topic from both the experimental and theoretical perspective, resulting in a quantitative understanding of the so-called "anomalies" of the pure liquid. Recent experimental approaches, computer simulations and theories provide new insight into the origins of these features as well as explanations on a molecular scale. With such topics as hydrogen bonding, proton transfer reactions, water thermodynamics, structures and dynamics in all phases, this is of great interest for chemists, physicists and biologists.