Dynamics Of Molecule Surface Interaction

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Dynamics Of Molecule Surface Interaction

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Author : Gert Due Billing
language : en
Publisher: John Wiley & Sons
Release Date : 2000-01-03

Dynamics Of Molecule Surface Interaction written by Gert Due Billing and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-01-03 with Science categories.

Chemical reactions at surfaces do not follow the same reaction dynamics as atoms in the gas phase. The changes from "ideal" interactions depend on the electronic structure and the spatial and geometric shape of the surface. The dynamics of chemical reactions at surfaces have all the complexity of gas-phase molecules reaction dynamics, plus those associated with the additional phenomena due to the presence of a solid surface.

Molecular Interactions

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Author : David A. Micha
language : en
Publisher: John Wiley & Sons
Release Date : 2020-01-02

Molecular Interactions written by David A. Micha and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-02 with Science categories.

A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and methods used in calculations with realistic models and compared with empirical data. Contains applications to many physical systems and worked examples Proceeds from introductory material to advanced modern treatments Has relevance for new materials, biological phenomena, and energy and fuels production

Molecule Surface Interactions Volume 76

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Author : K. P. Lawley
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-08

Molecule Surface Interactions Volume 76 written by K. P. Lawley and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-08 with Science categories.

This text is the first of a two-volume work on molecule surface interactions addressing topics in chemical physics, surface science, physical chemistry, materials science, and electronics and semiconductor manufacture. As with the other titles in the Advances in Chemical Physics series, the chapters are written by an international group of contributors and cover a wide range of important issues in the field.

Potential Energy Surfaces And Dynamics Calculations

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Author : Donald Truhlar
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11

Potential Energy Surfaces And Dynamics Calculations written by Donald Truhlar and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-11 with Science categories.

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.

Dynamics Of Gas Surface Interactions

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Author : Ricardo Diez Muino
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-02-26

Dynamics Of Gas Surface Interactions written by Ricardo Diez Muino and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-02-26 with Science categories.

This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level understanding of physical and chemical processes at surfaces, with particular emphasis on dynamical aspects. This book is a reference in the field.

Electron Dynamics In Molecular Interactions Principles And Applications

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Author : Frank Hagelberg
language : en
Publisher: World Scientific
Release Date : 2013-12-23

Electron Dynamics In Molecular Interactions Principles And Applications written by Frank Hagelberg and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-12-23 with Science categories.

This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes — an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom.Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electronic problem in quantum molecular dynamics, contrasting them with more traditional schemes. The presented models are derived from their roots in basic quantum theory, their interrelations are discussed, and their characteristic applications to concrete chemical systems are outlined. This volume also includes an assessment of the present status of electron dynamics and a report on novel developments to meet the current challenges in the field.Further, this monograph responds to a need for a systematic comparative treatise on nonadiabatic theories of quantum molecular dynamics, which are of considerably higher complexity than the more traditional adiabatic approaches and are steadily gaining in importance. This volume addresses a broad readership ranging from physics or chemistry graduate students to specialists in the field of theoretical quantum dynamics.

Surface Science

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Author : Kurt W. Kolasinski
language : en
Publisher: John Wiley & Sons
Release Date : 2020-01-07

Surface Science written by Kurt W. Kolasinski and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-07 with Technology & Engineering categories.

An updated fourth edition of the text that provides an understanding of chemical transformations and the formation of structures at surfaces The revised and enhanced fourth edition of Surface Science covers all the essential techniques and phenomena that are relevant to the field. The text elucidates the structural, dynamical, thermodynamic and kinetic principles concentrating on gas/solid and liquid/solid interfaces. These principles allow for an understanding of how and why chemical transformations occur at surfaces. The author (a noted expert on in the field) combines the required chemistry, physics and mathematics to create a text that is accessible and comprehensive. The fourth edition incorporates new end-of-chapter exercises, the solutions to which are available on-line to demonstrate how problem solving that is relevant to surface science should be performed. Each chapter begins with simple principles and builds to more advanced ones. The advanced topics provide material beyond the introductory level and highlight some frontier areas of study. This updated new edition: Contains an expanded treatment of STM and AFM as well as super-resolution microscopy Reviews advances in the theoretical basis of catalysis and the use of activity descriptors for rational catalyst design Extends the discussion of two-dimensional solids to reflect remarkable advances in their growth and characterization Delves deeper into the surface science of electrochemistry and charge transfer reactions Updates the “Frontiers and Challenges” sections at the end of each chapter as well as the list of references Written for students, researchers and professionals, the fourth edition of Surface Science offers a revitalized text that contains the tools and a set of principles for understanding the field. Instructor support material, solutions and PPTs of figures, are available at http://booksupport.wiley.com

Molecular Physics And Hypersonic Flows

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Author : M. Capitelli
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Molecular Physics And Hypersonic Flows written by M. Capitelli and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

Molecular Physics and Hypersonic Flows bridges the gap between the fluid dynamics and molecular physics communities, emphasizing the role played by elementary processes in hypersonic flows. In particular, the work is primarily dedicated to filling the gap between microscopic and macroscopic treatments of the source terms to be inserted in the fluid dynamics codes. The first part of the book describes the molecular dynamics of elementary processes both in the gas phase and in the interaction with surfaces by using quantum mechanical and phenomenological approaches. A second group of contributions describes thermodynamics and transport properties of air components, with special attention to the transport of internal energy. A series of papers is devoted to the experimental and theoretical study of the flow of partially ionized gases. Subsequent contributions treat modern computational techniques for 3-D hypersonic flow. Non-equilibrium vibrational kinetics are then described, together with the coupling of vibration-dissociation processes as they affect hypersonic flows. Special emphasis is given to the interfacing of non-equilibrium models with computational fluid dynamics methods. Finally, the last part of the book deals with the application of direct Monte Carlo methods in describing rarefied flows.

Scientific And Technical Aerospace Reports

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Author :
language : en
Publisher:
Release Date : 1985

Scientific And Technical Aerospace Reports written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985 with Aeronautics categories.

Surface Dynamics

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Author :
language : en
Publisher: Elsevier
Release Date : 2003-11-07

Surface Dynamics written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-11-07 with Science categories.

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