Modern Electronic Structure Theory In 2 Parts Part 2
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Modern Electronic Structure Theory In 2 Parts Part 2
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Author : David R Yarkony
language : en
Publisher: World Scientific
Release Date : 1995-09-28
Modern Electronic Structure Theory In 2 Parts Part 2 written by David R Yarkony and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-09-28 with Science categories.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Modern Electronic Structure Theory In 2 Parts Part 1
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Author : David R Yarkony
language : en
Publisher: World Scientific
Release Date : 1995-09-28
Modern Electronic Structure Theory In 2 Parts Part 1 written by David R Yarkony and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-09-28 with Science categories.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Laser Spectroscopy And Photochemistry On Metal Surfaces In 2 Parts Part 2
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Author : Hai-lung Dai
language : en
Publisher: World Scientific
Release Date : 1995-12-16
Laser Spectroscopy And Photochemistry On Metal Surfaces In 2 Parts Part 2 written by Hai-lung Dai and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-12-16 with Science categories.
Using lasers to induce and probe surface processes has the advantages of quantum state specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency resolution, and accessibility to full pressure ranges. These advantages make it highly desirable to use light to induce, control, or monitor surface chemical and physical processes. Recent applications of laser based techniques in studying surface processes have stimulated new developments and enabled the understanding of fundamental problems in energy transfer and reactions. This volume will include discussions on spectroscopic techniques, energy transfer, desorption dynamics, and photochemistry.
Modern Electronic Structure Theory
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Author : David Yarkony
language : en
Publisher: World Scientific
Release Date : 1995
Modern Electronic Structure Theory written by David Yarkony and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Theory And Applications Of Computational Chemistry
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Author : Clifford Dykstra
language : en
Publisher: Elsevier
Release Date : 2011-10-13
Theory And Applications Of Computational Chemistry written by Clifford Dykstra and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-13 with Science categories.
Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Fundamental Aspects Of Silicon Oxidation
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Author : Yves J. Chabal
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Fundamental Aspects Of Silicon Oxidation written by Yves J. Chabal 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 Technology & Engineering categories.
The idea for a book dealing specifically with elementary processes in silicon oxidation was formulated after a stimulating symposium that I organized at the American Physical Society meeting in March, 1998. The symposium, en titled "Dynamics of silicon etching and oxidation", explored the mechanisms governing silicon oxidation. With three experimental talks (Hines, Weldon and Gibson) and two theoretical presentations (Pasquarello and Pantelides), it provided a good cross-section of the recent efforts to characterize the in terfacial region of silicon oxide grown on silicon. The novelty of this work comes from the present experimental and theo retical advances that allow the investigation of the formation of ultra-thin silicon oxides. Although structural characterization of bulk silicon oxides and electrical characterization of thin oxides and their interfaces with silicon have produced an extensive body of work over more than forty years, a mechanis tic understanding of the initial oxidation processes has remained elusive. In the past, both the experimental and theoretical efforts have been thwarted by the complexity of dealing with the formation of a mostly amorphous oxide on a crystalline substrate. In this book we present a survey of the state-of-the-art methods, both ex perimental and theoretical, specifically dealing with the issue of amorphous dielectric growth. Each chapter critically reviews and cross-correlates infor mation provided by experimental techniques, such as microscopy, spectro scopy, or scattering, with results obtained using theoretical methods, such as ab initio electronic structure calculations, molecular dynamics, and Monte Carlo simulations.
Electronic Structure
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Author : Richard M. Martin
language : en
Publisher: Cambridge University Press
Release Date : 2004-04-08
Electronic Structure written by Richard M. Martin and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04-08 with Science categories.
The study of the electronic structure of materials is at a momentous stage, with the emergence of computational methods and theoretical approaches. Many properties of materials can now be determined directly from the fundamental equations for the electrons, providing insights into critical problems in physics, chemistry, and materials science. This book provides a unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and real-world applications. Appropriate for both graduate students and practising scientists, this book describes the approach most widely used today, density functional theory, with emphasis upon understanding the ideas, practical methods and limitations. Many references are provided to original papers, pertinent reviews, and widely available books. Included in each chapter is a short list of the most relevant references and a set of exercises that reveal salient points and challenge the reader.
Materials Issues For Generation Iv Systems
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Author : Véronique Ghetta
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-04-23
Materials Issues For Generation Iv Systems written by Véronique Ghetta 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 2008-04-23 with Technology & Engineering categories.
Global warming, shortage of low-cost oil resources and the increasing demand for energy are currently controlling the world's economic expansion while often opposing desires for sustainable and peaceful development. In this context, atomic energy satisfactorily fulfills the criteria of low carbon gas production and high overall yield. However, in the absence of industrial fast-breeders the use of nuclear fuel is not optimal, and the production of high activity waste materials is at a maximum. These are the principal reasons for the development of a new, fourth generation of nuclear reactors, minimizing the undesirable side-effects of current nuclear energy production technology while increasing yields by increasing operation temperatures and opening the way for the industrial production of hydrogen through the decomposition of water. The construction and use of such reactors is hindered by several factors, including performance limitations of known structural materials, particularly if the life of the projected systems had to extend over the periods necessary to achieve low costs (at least 60 years). This book collects lectures and seminars presented at the homonymous NATO ASI held in autumn 2007 at the Institut d’Etudes Scientifiques in Cargèse, France. The adopted approach aims at improving and coordinating basic knowledge in materials science and engineering with specific areas of condensed matter physics, the physics of particle/matter interaction and of radiation damage. It is our belief that this methodology is crucially conditioning the development and the industrial production of new structural materials capable of coping with the requirements of these future reactors.
Molecular Electronic Structures Of Transition Metal Complexes Ii
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Author : David Michael P. Mingos
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-11
Molecular Electronic Structures Of Transition Metal Complexes Ii written by David Michael P. Mingos 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 2012-01-11 with Medical categories.
This book reviews current and future trends in modern chemical research, focusing on chemical structure and bonding. Covers development of electronic structure theories for transition metal complexes, orbital models and electronic structure theory and more.
Quantum Mechanical Prediction Of Thermochemical Data
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Author : Jerzy Cioslowski
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
Quantum Mechanical Prediction Of Thermochemical Data written by Jerzy Cioslowski 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 2006-04-11 with Science categories.
For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs.