Potential Energy Surfaces and Dynamics Calculations

Potential Energy Surfaces and Dynamics Calculations
Author :
Publisher : Springer Science & Business Media
Total Pages : 859
Release :
ISBN-10 : 9781475717358
ISBN-13 : 1475717350
Rating : 4/5 (58 Downloads)

Synopsis Potential Energy Surfaces and Dynamics Calculations by : Donald Truhlar

The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.

The Dynamics of Surfaces

The Dynamics of Surfaces
Author :
Publisher :
Total Pages : 186
Release :
ISBN-10 : UOM:39015004516525
ISBN-13 :
Rating : 4/5 (25 Downloads)

Synopsis The Dynamics of Surfaces by : Leonor Michaelis

Dynamics of Fractal Surfaces

Dynamics of Fractal Surfaces
Author :
Publisher : World Scientific
Total Pages : 496
Release :
ISBN-10 : 9810207212
ISBN-13 : 9789810207212
Rating : 4/5 (12 Downloads)

Synopsis Dynamics of Fractal Surfaces by : Fereydoon Family

In the last few years there has been an explosion of activity in the field of the dynamics of fractal surfaces, which, through the convergence of important new results from computer simulations, analytical theories and experiments, has led to significant advances in our understanding of nonequilibrium surface growth phenomena. This interest in surface growth phenomena has been motivated largely by the fact that a wide variety of natural and industrial processes lead to the formation of rough surfaces and interfaces. This book presents these developments in a single volume by bringing together the works containing the most important results in the field.The material is divided into chapters consisting of reprints related to a single major topic. Each chapter has a general introduction to a particular aspect of growing fractal surfaces. These introductory parts are included in order to provide a scientific background to the papers reproduced in the main part of the chapters. They are written in a pedagogical style and contain only the most essential information. The contents of the reprints are made more accessible to the reader as they are preceded by a short description of what the editors find to be the most significant results in the paper.

Dynamics of Gas-Surface Scattering

Dynamics of Gas-Surface Scattering
Author :
Publisher : Elsevier
Total Pages : 352
Release :
ISBN-10 : 9780323154611
ISBN-13 : 0323154611
Rating : 4/5 (11 Downloads)

Synopsis Dynamics of Gas-Surface Scattering by : Frank O. Goodman

Dynamics of Gas-Surface Scattering deals with the dynamics of scattering as inferred from known properties of gases and solids. This book discusses measurements of spatial distributions of scattered atomic and molecular streams, and of the energy and momentum which gas particles exchange at solid surfaces. It also considers two regimes of scattering, both of which are associated with a lower range of incident gas energies: the thermal and structure scattering regimes. Comprised of 10 chapters, this book opens with a brief historical overview of the early experiments that investigated the dynamics of scattering of gases by surfaces. The discussion then turns to some elements of the kinetic theory of gases; intermodular potentials and interaction regimes; and classical-mechanical lattice models used in gas-surface scattering theory. The applications of molecular beams to the study of gas-surface scattering phenomena are also described. The remaining chapters focus on experiments and theories on scattering of molecular streams by surfaces of solids, with emphasis on thermal and structure regimes of inelastic scattering; quantum theory of gas-surface scattering; and quantum mechanical scattering phenomena. This text concludes with an analysis of energy exchange processes that may occur when a solid surface is completely immersed in a still gas. This monograph will be a valuable resource for students and practitioners of physics, chemistry, and applied mathematics.

The Dynamics of Surfaces

The Dynamics of Surfaces
Author :
Publisher :
Total Pages : 188
Release :
ISBN-10 : UOM:39015065724745
ISBN-13 :
Rating : 4/5 (45 Downloads)

Synopsis The Dynamics of Surfaces by : Leonor Michaelis

Capillary Surfaces

Capillary Surfaces
Author :
Publisher : Springer Science & Business Media
Total Pages : 388
Release :
ISBN-10 : 9783540418153
ISBN-13 : 3540418156
Rating : 4/5 (53 Downloads)

Synopsis Capillary Surfaces by : Dieter W. Langbein

Featuring a foreword by the astronaut Ulf Merbold, this book is devoted to interfaces between two fluids, that is, between a liquid and a gas or between two liquids. It is the first review on the subject, providing an up-to-date overview.

Surface Dynamics

Surface Dynamics
Author :
Publisher : Elsevier
Total Pages : 393
Release :
ISBN-10 : 9780080498348
ISBN-13 : 0080498345
Rating : 4/5 (48 Downloads)

Synopsis Surface Dynamics by :

While much of traditional surface science has been concerned with equilibrium properties and simple kinetics, there is a growing effort in the area of dynamical processes at surfaces. This book draws together a series of chapters written by acknowledged experts in the field, which describe progress in a range of specific topics. The emphasis is on chemical reaction dynamics, including both theoretical and experimental approaches and covering work on low index single crystal surfaces, on stepped surfaces and on supported metal clusters. Other processes, such as surface diffusion are also addressed. Further chapters discuss dynamical processes in electronically-induced desorption, and in surface diffusion on semiconductors and metals.- Presents considerable advances in surface science field - Collection of expert reviews in surface dynamics

Dynamics at Solid State Surfaces and Interfaces, Volume 2

Dynamics at Solid State Surfaces and Interfaces, Volume 2
Author :
Publisher : John Wiley & Sons
Total Pages : 273
Release :
ISBN-10 : 9783527646487
ISBN-13 : 3527646485
Rating : 4/5 (87 Downloads)

Synopsis Dynamics at Solid State Surfaces and Interfaces, Volume 2 by : Uwe Bovensiepen

This two-volume work covers ultrafast structural and electronic dynamics of elementary processes at solid surfaces and interfaces, presenting the current status of photoinduced processes. Providing valuable introductory information for newcomers to this booming field of research, it investigates concepts and experiments, femtosecond and attosecond time-resolved methods, as well as frequency domain techniques. The whole is rounded off by a look at future developments.

Dynamics on Surfaces

Dynamics on Surfaces
Author :
Publisher : Springer
Total Pages : 504
Release :
ISBN-10 : UVA:X001305951
ISBN-13 :
Rating : 4/5 (51 Downloads)

Synopsis Dynamics on Surfaces by : Bernard Pullman

Proceedings of the Seventeenth Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 30-May 3, 1984