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Structure And Dynamics Of Heterogeneous Systems From Atoms Molecules And Clusters In Complex Environment To Thin Films And Multilayers
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Book Synopsis International Symposium on Structure and Dynamics of Heterogeneous Systems by : Peter Entel
Download or read book International Symposium on Structure and Dynamics of Heterogeneous Systems written by Peter Entel and published by World Scientific. This book was released on 2000 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains contributions from cooperative research activities in physics and chemistry and addresses heterogeneous systems like atoms and molecules in complex environments, dye molecules like the retinal chromophore in the protein box of the human eye, interacting atoms/molecules in the interlayer of adsorbed structures, nucleation and domain formation processes in magnetic and martensitic systems. The particular aim of the contributions is to deduce the connection between different grades of heterogeneity and to bridge the gap between chemicals and heterogeneity on the atomic scale, and the physics of macroscopically heterogeneous systems. Besides the diverse experimental tools employed in the investigations, accompanying theoretical investigations range from ab initio molecular dynamics studies of the microscopic systems to Monte-Carlo simulations of the larger-scale problems.
Book Synopsis Structure And Dynamics Of Heterogeneous Systems: From Atoms, Molecules And Clusters In Complex Environment To Thin Films And Multilayers by : Peter Entel
Download or read book Structure And Dynamics Of Heterogeneous Systems: From Atoms, Molecules And Clusters In Complex Environment To Thin Films And Multilayers written by Peter Entel and published by World Scientific. This book was released on 2000-05-11 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains contributions from cooperative research activities in physics and chemistry and addresses heterogeneous systems like atoms and molecules in complex environments, dye molecules like the retinal chromophore in the protein box of the human eye, interacting atoms/molecules in the interlayer of adsorbed structures, nucleation and domain formation processes in magnetic and martensitic systems. The particular aim of the contributions is to deduce the connection between different grades of heterogeneity and to bridge the gap between chemicals and heterogeneity on the atomic scale, and the physics of macroscopically heterogeneous systems. Besides the diverse experimental tools employed in the investigations, accompanying theoretical investigations range from ab initio molecular dynamics studies of the microscopic systems to Monte-Carlo simulations of the larger-scale problems.
Book Synopsis Structure and Dynamics of Atoms and Molecules: Conceptual Trends by : Jean-Louis Calais
Download or read book Structure and Dynamics of Atoms and Molecules: Conceptual Trends written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Book Synopsis Structure and Dynamics of Molecular Systems by : R. Daudel
Download or read book Structure and Dynamics of Molecular Systems written by R. Daudel and published by Springer Science & Business Media. This book was released on 1986-05-31 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is the second of a set of two which contain 28 selected from the l. j. O invited lectures given at the internatim;al seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; H) molecular relaxation and motion; iii) charge, spin and momentum distributions and intermolecular interactions; iv) collective phenomena in condensed matter. The first volume deals mostly with the first two topics, the second volume mostly with the last two. The two volumes consist of an approximately equal number of self-con tained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first two papers of the present volume deal with theoretical aspects of intermolecular interactions: the first paper with the physical origin of the so-called non-exchange molecular terms, a complete deriva tion of which is given using Rayleigh-Schrodinger second-order perturba tion theory; the second paper with the symmetry analysis of the effects of interactions between rigid molecules and crystal environments, using the isodynamic-group theoretical approach devised by Altmann for non rigid systems.
Book Synopsis Theory of Atomic and Molecular Clusters by : Julius Jellinek
Download or read book Theory of Atomic and Molecular Clusters written by Julius Jellinek and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: The emergence and spectacularly rapid evolution of the field of atomic and molecular clusters are among the most exciting developments in the recent history of natural sciences. The field of clusters expands into the traditional disciplines of physics, chemistry, materials science, and biology, yet in many respects it forms a cognition area of its own. This book presents a cross section of theoretical approaches and their applications in studies of different cluster systems. The contributions are written by experts in the respective areas. The systems discussed range from weakly (van der Waals) bonded, through hydrogen- and covalently bonded, to semiconductor and metallic clusters. The theoretical approaches involve high-level electronic structure computations, more approximate electronic structure treatments, use of semiempirical potentials, dynamical and statistical analyses, and illustrate the utility of both classical and quantum mechanical concepts.
Book Synopsis Structure and Dynamics of Molecular Systems by : R. Daudel
Download or read book Structure and Dynamics of Molecular Systems written by R. Daudel and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; ii) molecular relaxation and motion; iii) charge, spin and momentum distributions in molecular solids; iv) collective phenomena in condensed matter. The first volume deals f)1ostly with the first two topics, the second volume mostly with the last two. Each volume consists of about fifteen self contained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first four papers of the present volume deal with theoretical aspects of structure and reactivity problems, with particular attention being paid to topology considerations, which have joined symmetry con siderations as an important tool in approaching chemistry problems. The treatment of nuclear probability density distributions is performed on a model basis for a simple system, even though it has come to the attention of theoreticians through experimental results for complex systems.
Book Synopsis Advances in the Theory of Atomic and Molecular Systems by : Piotr Piecuch
Download or read book Advances in the Theory of Atomic and Molecular Systems written by Piotr Piecuch and published by Springer Science & Business Media. This book was released on 2009-09-30 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled “Dynamics, Spectroscopy, Clusters, and Nanostructures”) deals with the topics of “Quantum Dynamics and Spectroscopy”, “Complexes and Clusters”, and “Nanostructures and Complex Systems”. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Book Synopsis Structure and Dynamics of Heterogeneous Molecular Systems by : Alfred B. Roney
Download or read book Structure and Dynamics of Heterogeneous Molecular Systems written by Alfred B. Roney and published by . This book was released on 2006 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Although current classical force fields describe homogeneous single-componentsystems fairly well, they do not represent the response of an individual molecule's electronic structure to its local environment with enough detail to reliably predict atomic motions in interfacial regions such as a solvation structure or liquid surface. Since most chemical processes of non-trivial interest involve two or more dissimilar molecules interacting at a short distance, molecular models must accurately simulate the interactions between different molecular species as well as bulk behavior in order to provide useful information. Results from two simulation studies are presented to illustrate both the utility of current point-charge electrostatics models in liquid structure determination and the critical importance of modeling induction effects in liquid water.
Book Synopsis Structure and Dynamics of Solutions by : H. Ohtaki
Download or read book Structure and Dynamics of Solutions written by H. Ohtaki and published by Elsevier. This book was released on 2013-10-22 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their positions in both the short and long range. This book has been designed to meet these criteria. It is possible to develop a sound microscopic picture for reaction dynamics in solution without molecular-level knowledge of how reacting ionic or neutral species are solvated and how rapidly the molecular environment is changing with time. A variety of actual examples is given as to how and when modern molecular approaches can be used to solve specific solution problems. The following tools are discussed: x-ray and neutron diffraction, EXAFS, and XANES, molecular dynamics and Monte Carlo computer simulations, Raman, infrared, NMR, fluorescence, and photoelectron emission spectroscopic methods, conductance and viscosity measurements, high pressure techniques, and statistical mechanics methods. Static and dynamic properties of ionic solvation, molecular solvation, ion-pair formation, ligand exchange reactions, and typical organic solvents are useful for bridging the gap between classical thermodynamic studies and modern single-molecule studies in the gas phase. The book will be of interest to solution, physical, inorganic, analytical and structural chemists as well as to chemical kineticists.
Book Synopsis Many-Body Methods for Atoms and Molecules by : Rajat Kumar Chaudhuri
Download or read book Many-Body Methods for Atoms and Molecules written by Rajat Kumar Chaudhuri and published by CRC Press. This book was released on 2017-02-17 with total page 161 pages. Available in PDF, EPUB and Kindle. Book excerpt: Brings Readers from the Threshold to the Frontier of Modern Research Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts. The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then in the multi-reference context. They also describe the idea of state-specific theories, Fock space-based multi-reference coupled cluster methods, and basic issues of the single-reference coupled cluster method. The book concludes with state-of-the-art methods of modern electronic structure.
Book Synopsis Self-Organization of Molecular Systems by : Nino Russo
Download or read book Self-Organization of Molecular Systems written by Nino Russo and published by Springer Science & Business Media. This book was released on 2009-05-21 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop on Molecular Self-Organization: From Molecules to Water, to Nanoparticles, to DNA and Proteins Kyiv, Ukraine 8-12 June 2008
Book Synopsis Electronic States of Molecules and Atom Clusters by : G. Del Re
Download or read book Electronic States of Molecules and Atom Clusters written by G. Del Re and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structure and Dynamics of Weakly Bound Molecular Complexes by : Alfons Weber
Download or read book Structure and Dynamics of Weakly Bound Molecular Complexes written by Alfons Weber and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 623 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of weakly bound molecular complexes has in recent years brought this field of investigation to the forefront of physical and chemical research. The scope of the subject is wide and different terminology and nomenclature is current among the various subspecialties. Thus, the term "metal cluster" often connotes to the organic chemist a metal-organic compound, while the physicist will more likely think of groups of metal atoms held together by weak interatomic forces. Aggregates, clusters, complexes, van der Waals molecules, hydrogen-bonded molecules, etc. are terms currently in use, sometimes interchangeably while other times with well defined and mutually exclusive meanings. The subjects of this volume are the free, isolated vim der Waals and hydrogen-bonded molecules. Owing to the present state of experimental knowledge these are mostly dimers, i. e. , entities formed by two strongly bound molecules, an atom and a molecule, or two atoms held together by the weak hydrogen-bonding, or the still weaker van der Waals forces. Weakly bound complexes formed of more than two strongly bound sub-units, i. e. , trimers, tetramers, etc. , are now coming within reachof experimental observation and several papers in this book deal with them. The study of van der Waals and hydrogen-bonded interactions has been pursued for several decades. Most of these ,investigations have, however, dealt with systems in the condensed phase in which bulk effects are commingled with and therefore mask the weak binary interactions.
Book Synopsis Structure and Dynamics of Non-rigid Molecular Systems by : Yves G. Smeyers
Download or read book Structure and Dynamics of Non-rigid Molecular Systems written by Yves G. Smeyers and published by Springer Science & Business Media. This book was released on 1995 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains contributions, written by specialists, which deal with various aspects of the structure and dynamics of non-rigid molecules. Together these papers provide an authoritative overview of research and progress in this field. The contents are divided into three sections which cover, respectively: fundamental questions in non-rigid molecular problems; the structure and symmetry of non-rigid molecular systems; and the dynamics of non-rigid molecular systems.
Book Synopsis The Structure of Small Molecules and Ions by : Ron Naaman
Download or read book The Structure of Small Molecules and Ions written by Ron Naaman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: The workshop on "The structure of small molecules and ions" was held at the Neve-Han guest house, near Jerusalem, Israel on December 13 to 18 in mem ory of the late Professor Itzhak Plesser. Professor Plesser played a central role in the research done both at the Weizmann Institute and at Argonne National Laboratories on the "Coulomb explosion" method. His friends honored his memory by organizing a meeting in which subjects related to Plesser's interests would be discussed. Just a week be fore the conference started we were struck by another tragedy -the death of our graduate student Ms. Hana Kovner, who participated in many of the Coulomb explosion experiments at the Weizmann Institute. We would like to dedicate these proceedings to her memory as well. The goal of the workshop was to bring together chemists and physicists working on different aspects of the structural problems of small molecular en tities. The time seemed appropriate for discussing experimental and theoretical concepts, since in recent years new methods have been introduced, and a large amount of information has been accumulated on systems not studied before, like unstable molecules, ions, van der Waals molecules and clusters. The program of the workshop reflects, we believe, these new developments. The meeting was characterized by intensive discussions in which the weak nesses and strengths of new and of well established concepts were revealed. We hope that it measured up to the high standards Itzhak Plesser maintained all through his scientific life.
Book Synopsis Atomic and Molecular Clusters by : Elliot R. Bernstein
Download or read book Atomic and Molecular Clusters written by Elliot R. Bernstein and published by Elsevier Publishing Company. This book was released on 1990 with total page 828 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last fifteen years have seen a veritable explosion of clusters research brought about by two relatively new experimental advances - supersonic jet expansions creating cold high density atomic and molecular beams, and laser (mass and optical) spectroscopy. The success and power of these two techniques, taken together and applied to the study of atomic and molecular clusters, are described in this volume. The field of cluster study is a very broad one, propelled by both the potential application of cluster results to many bulk systems and interest in clusters as systems in their own right. The eclectic nature of the collection of chapters in this book reflects well the diverse nature of this area of chemical physics. The book begins with one of the most suprising and controversial of recent cluster studies - those for the carbon system. As with bulk and molecular carbon chemistry, the chemistry of carbon clusters seems to be unique. Nonmetallic main group clusters also form a very interesting set of systems and their structure and chemistry are as fascinating as they are varied. Diatomic/atomic clusters and small polyatomic clusters demonstrate an incredible amount of spectroscopic detail and thus structure, dynamics and, in some instances, chemistry can be characterized for them. Clusters of larger molecules also yield information on structure, dynamics and chemistry but can in addition give information on changes in molecular structure with degree of solvation. As clusters become larger they begin to assume the properties of bulk systems. Finally, some chapters discuss the nucleation and growth of clusters, each from its own unique perspective and point of view. Current efforts involve following these processes from the formation of a two-molecule cluster to liquid drop. Atomic and Molecular Clusters provides the researcher with a survey of the current status of the field and will also be of interest to the student who may discover a new and exciting area of investigation.
Book Synopsis Clusters and Small Particles by : Boris M. Smirnov
Download or read book Clusters and Small Particles written by Boris M. Smirnov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Not merely a discussion of small particles or clusters of atoms, molecules, but also the systems they constitute. The goal is to analyse the properties of such finite aggregates and their behaviour in gases and plasmas, and to investigate processes that involve such clusters, based on lectures and seminar problems for graduates. The main part of the book includes more than 200 problems, covering collisions, charge transfer, chemical reactions, condensed systems and their structures, kinetics of cluster growth, excited clusters, the transition from clusters to bulk particles, and small particles, dust, and aerosols in plasmas. Reference data for corresponding parameters of systems under consideration is given in the appendices. Of interest to physicists, astrophysicists, and chemists.
