Modern Electronic Structure Theory In 2 Parts Part 1

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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.

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.

Chemical Dynamics And Kinetics Of Small Radicals The In 2 Parts Part 1

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Author : Kopin Liu
language : en
Publisher: World Scientific
Release Date : 1996-01-19

Chemical Dynamics And Kinetics Of Small Radicals The In 2 Parts Part 1 written by Kopin Liu and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-01-19 with Science categories.

This book highlights recent progress in the chemistry of radicals. Developments include the growing use of lasers to generate radicals, the application of lasers to provide state, angular, polarization, energy and real-time resolution in kinetics and dynamics experiments, the development of theories for handling the reactions of radicals, and the simulation of the reaction dynamics of increasingly larger systems for direct comparison to experimental results. The book emphasizes the increasing interaction between experimental dynamics, kinetics and theory. It is appropriate for chemistry graduate students and researchers about to enter the field. However, the discussions of some topics progress to a more advanced level so that even an expert will find the book useful.

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.

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

Scientific And Technical Aerospace Reports

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Author :
language : en
Publisher:
Release Date : 1986

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 1986 with Aeronautics categories.

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.

Latest Advances In Electrothermal Models

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Author : Krzysztof Górecki
language : en
Publisher: MDPI
Release Date : 2021-03-17

Latest Advances In Electrothermal Models written by Krzysztof Górecki and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-17 with Technology & Engineering categories.

This book is devoted to the latest advances in the area of electrothermal modelling of electronic components and networks. It contains eight sections by different teams of authors. These sections contain the results of: (a) electro-thermal simulations of SiC power MOSFETs using a SPICE-like simulation program; (b) modelling thermal properties of inductors taking into account the influence of the core volume on the efficiency of heat removal; (c) investigations into the problem of inserting a temperature sensor in the neighbourhood of a chip to monitor its junction temperature; (d) computations of the internal temperature of power LEDs situated in modules containing multiple-power LEDs, taking into account both self-heating in each power LED and mutual thermal couplings between each diode; (e) analyses of DC-DC converters using the electrothermal averaged model of the diode–transistor switch, including an IGBT and a rapid-switching diode; (f) electrothermal modelling of SiC power BJTs; (g) analysis of the efficiency of selected algorithms used for solving heat transfer problems at nanoscale; (h) analysis related to thermal simulation of the test structure dedicated to heat-diffusion investigation at the nanoscale.

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.

Relativistic Electronic Structure Theory Fundamentals

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Author :
language : en
Publisher: Elsevier
Release Date : 2002-11-22

Relativistic Electronic Structure Theory Fundamentals 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 2002-11-22 with Science categories.

The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area.·No title is currently available that deals with new developments in relativistic quantum electronic structure theory·Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry·As treatment of heavy elements becomes more important, there will be a constant demand for this title