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Quelques Methodes De La Chimie Quantique Adaptees Aux Problemes Usuels Des Chimistes
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Book Synopsis QUELQUES METHODES DE LA CHIMIE QUANTIQUE ADAPTEES AUX PROBLEMES USUELS DES CHIMISTES by : ANNIE.. MEUNIER
Download or read book QUELQUES METHODES DE LA CHIMIE QUANTIQUE ADAPTEES AUX PROBLEMES USUELS DES CHIMISTES written by ANNIE.. MEUNIER and published by . This book was released on 1980 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: ETUDE DE CRITERES DE CHOIX D'UNE METHODE AB INITIO POUR L'ETUDE D'UN SYSTEME A COUCHES COMPLETES A L'ETAT FONDAMENTAL. CHOIX DE LA METHODE SCF-LCAO-MO POUR L'ETUDE DE DIFFERENCES D'ENERGIE ET DE PROPRIETES MONOELECTRONIQUES; EXEMPLE POUR LA STRUCTURE ELECTRONIQUE ET LA CONFORMATION D'ESTERS D'OSES SUR DES COMPOSES MODELES. PROBLEME DE LA PRISE EN COMPTE DE LA CORRELATION ELECTRONIQUE PAR LA METHODE DE PERTURBATION AU 2EME ORDRE ET PAR LA METHODE DES INTERACTIONS DE CONFIGURATIONS TRONQUEES (MONO- ET DIEXCITATIONS), CETTE DERNIERE METHODE PRESENTANT UN COMPORTEMENT ASYMPTOTIQUE INCORRECT EN RACN (N: NOMBRE D'ELECTRONS DU SYSTEME); EXEMPLE DE LA LIAISON HYDROGENE NH::(3)-EAU PAR LA METHODE DE PERTURBATION. DISCUSSION DE METHODES CI PLUS POUSSEES (CIPSI, METHODES DE PAIRE MET, IEPA, CEPA, CPMET)
Book Synopsis Éléments de chimie quantique à l'usage des chimistes (2e édition) by : Jean-Louis Rivail
Download or read book Éléments de chimie quantique à l'usage des chimistes (2e édition) written by Jean-Louis Rivail and published by EDP Sciences. This book was released on 2012-12-03T00:00:00+01:00 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: Les concepts fondamentaux ainsi qu'une présentation en détail de la notion d'orbitales atomiques et moléculaires et de ses applications à divers problèmes. L'ouvrage s'adresse aux ingénieurs, aux étudiants de fin de 2e cycle et de 3e cycle, aux chimistes professionnels de l'industrie et aux chercheurs en chimie expériementale.
Book Synopsis Méthodes mathématiques en chimie quantique. Une introduction by : Eric Cances
Download or read book Méthodes mathématiques en chimie quantique. Une introduction written by Eric Cances and published by Springer Science & Business Media. This book was released on 2006-09-09 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ce cours est une introduction à la modélisation mathématique et à l'analyse numérique pour la chimie moléculaire quantique, un champ peu connu des mathématiciens et pourtant riche en sujets d'investigation. Le point de vue choisi est celui du mathématicien appliqué. Le cours est construit de manière auto-consistante.
Book Synopsis Chimie Quantique à l'usage des chimistes by : Nadia Faska
Download or read book Chimie Quantique à l'usage des chimistes written by Nadia Faska and published by Presses Academiques Francophones. This book was released on 2024-08-30 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: L'ouvrage explore la mécanique quantique et ses applications en chimie. Il commence par rappeler les axiomes fondamentaux et le moment cinétique. Il se concentre ensuite sur l'atome hydrogénoïde, couvrant l'Hamiltonien, l'équation de Schrödinger, et les orbitales atomiques. Il traite ensuite des atomes polyélectroniques, abordant les méthodes d'approximation et l'équation de Schrödinger pour ces systèmes. Enfin, il examine les molécules, y compris l'équation de Schrödinger pour les systèmes moléculaires, la paramétrisation, la méthode de Hückel, et leurs applications pratiques.
Download or read book Chimie quantique written by Claude Millot and published by . This book was released on 2004 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cet ouvrage s'adresse aux étudiants en 2e cycle/Master universitaire de chimie physique, chimie, sciences physiques ou physique. Après une introduction à la mécanique quantique, il aborde les diverses méthodes permettant d'élucider la structure électronique de la matière utilisation de la symétrie moléculaire pour la description de la structure des molécules et l'obtention de diagramme d'orbitales moléculaires, théorie des bandes électroniques dans les solides, symétrie des états multi-électroniques, spectroscopie, méthodes de Hartree-Fock et post-Hartree-Fock... Chaque chapitre débute par de brefs rappels des points de cours concernés, qui introduisent de nombreux exercices et problèmes corrigés, visant à faciliter l'assimilation des concepts. Les corrigés, souvent détaillés, ont été délibérément séparés des énoncés pour inciter le lecteur à résoudre les exercices avant d'en lire les solutions.
Book Synopsis Eléments de chimie quantique à l'usage des chimistes by : Jean-Louis Rivail
Download or read book Eléments de chimie quantique à l'usage des chimistes written by Jean-Louis Rivail and published by . This book was released on 1994 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: La mécanique quantique a suscité l'apparition d'une nouvelle discipline: la chimie quantique. Ce livre en expose les concepts fondamentaux et présente en détail la notion d'orbitales atomiques et moléculaires et ses applications à divers problèmes (solides, forces intermoléculaires, réactivité chimique). Il a pour but d'aider le lecteur à acquérir une vision unifiée des diverses représentations modernes de la structure électronique des édifices chimiques (atomes, molécules ou cristaux) et de lui fournir une introduction aux méthodes de calcul d'usage courant dans de nombreux domaines de recherche. Cette deuxième édition, entièrement revue, prend en compte l'évolution récente des méthodes et des programmes de calcul, notamment informatiques, utilisés en chimie théorique comme en chimie expérimentale. L'ouvrage s'adresse aux ingénieurs, aux étudiants de fin de deuxième cycle et de troisième cycle, aux chimistes professionnels de l'industrie et aux chercheurs en chimie expérimentale. Ces lecteurs y trouveront les éléments de réponse aux questions qu'ils sont amenés à se poser chaque fois qu'ils sont confrontés aux résultats obtenus par des traitements quantiques relativement élaborés.
Book Synopsis Chemistry: The Impure Science (2nd Edition) by : Jonathan Simon
Download or read book Chemistry: The Impure Science (2nd Edition) written by Jonathan Simon and published by World Scientific. This book was released on 2012-06-26 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: What do you associate with chemistry? Explosions, innovative materials, plastics, pollution? The public's confused and contradictory conception of chemistry as basic science, industrial producer and polluter contributes to what we present in this book as chemistry's image as an impure science. Historically, chemistry has always been viewed as impure both in terms of its academic status and its role in transforming modern society. While exploring the history of this science we argue for a characteristic philosophical approach that distinguishes chemistry from physics. This reflection leads us to a philosophical stance that we characterise as operational realism. In this new expanded edition we delve deeper into the questions of properties and potentials that are so important for this philosophy that is based on the manipulation of matter rather than the construction of theories./a
Book Synopsis Collected Papers on Philosophy of Chemistry by : Eric R. Scerri
Download or read book Collected Papers on Philosophy of Chemistry written by Eric R. Scerri and published by World Scientific. This book was released on 2008 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents a collection of papers from one of the founders of the new Philosophy of Chemistry. It is only the second single-author collection of papers on the Philosophy of Chemistry.The author is the editor-in-chief of Foundations of Chemistry, the leading journal in the field. He has recently gained worldwide success with his book on the periodic table of the elements titled The Periodic Table: Its Story and Its Significance. This volume provides an in-depth examination of his more philosophical and historical work in this area and further afield.
Book Synopsis Complexity Theory and the Philosophy of Education by : Mark Mason
Download or read book Complexity Theory and the Philosophy of Education written by Mark Mason and published by John Wiley & Sons. This book was released on 2009-02-23 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: A collection of scholarly essays, Complexity Theory and thePhilosophy of Education provides an accessible theoreticalintroduction to the topic of complexity theory while consideringits broader implications for educational change. Explains the contributions of complexity theory to philosophyof education, curriculum, and educational research Brings together new research by an international team ofcontributors Debates issues ranging from the culture of curriculum, to theimplications of work of key philosophers such as Foucault and JohnDewey for educational change Demonstrates how social scientists and social and educationpolicy makers are drawing on complexity theory to answer questionssuch as: why is it that education decision-makers are so resistantto change; how does change in education happen; and what does ittake to make these changes sustainable? Considers changes in use of complexity theory; developedprincipally in the fields of physics, biology, chemistry, andeconomics, and now being applied more broadly to the socialsciences and to the study of education
Book Synopsis Introductory Solid State Physics by : H.P. Myers
Download or read book Introductory Solid State Physics written by H.P. Myers and published by CRC Press. This book was released on 1997-04-26 with total page 591 pages. Available in PDF, EPUB and Kindle. Book excerpt: Assuming an elementary knowledge of quantum and statistical physics, this book provides a comprehensive guide to principal physical properties of condensed matter, as well as the underlying theory necessary for a proper understanding of their origins. The subject matter covers the principal features of condensed matter physics, but with particular accent on the properties of metal alloys. Relevance to technical applications is recognized.
Book Synopsis Applied Reactor Physics by : Alain Hébert
Download or read book Applied Reactor Physics written by Alain Hébert and published by Presses inter Polytechnique. This book was released on 2009 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Flexoelectricity in Liquid Crystals by : Agnes Buka
Download or read book Flexoelectricity in Liquid Crystals written by Agnes Buka and published by World Scientific. This book was released on 2013 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book intends to give a state-of-the-art overview of flexoelectricity, a linear physical coupling between mechanical (orientational) deformations and electric polarization, which is specific to systems with orientational order, such as liquid crystals. Chapters written by experts in the field shed light on theoretical as well as experimental aspects of research carried out since the discovery of flexoelectricity. Besides a common macroscopic (continuum) description the microscopic theory of flexoelectricity is also addressed. Electro-optic effects due to or modified by flexoelectricity as well as various (direct and indirect) measurement methods are discussed. Special emphasis is given to the role of flexoelectricity in pattern-forming instabilities. While the main focus of the book lies in flexoelectricity in nematic liquid crystals, peculiarities of other mesophases (bent-core systems, cholesterics, and smectics) are also reviewed. Flexoelectricity has relevance to biological (living) systems and can also offer possibilities for technical applications. The basics of these two interdisciplinary fields are also summarized.
Book Synopsis Transport Theory by : James J. Duderstadt
Download or read book Transport Theory written by James J. Duderstadt and published by John Wiley & Sons. This book was released on 1979 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt: Problems after each chapter
Book Synopsis Complexity, Science and Society by : Jan Bogg
Download or read book Complexity, Science and Society written by Jan Bogg and published by Radcliffe Publishing. This book was released on 2007 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: Complexity is a new interdisciplinary approach to science and society that challenges traditional academic divisions, frameworks and paradigms. This book helps the expert, student or policy practitioner have a better understanding of the enormous potential of complexity, and how it relates to their particular area of interest or expertise.
Book Synopsis Major Problems in Developmental Biology by : Michael Locke
Download or read book Major Problems in Developmental Biology written by Michael Locke and published by Elsevier. This book was released on 2012-12-02 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Major Problems in Developmental Biology contains the proceedings of the 25th Symposium of the Society for Developmental Biology, held in Haverford, Pennsylvania, in June 1966. The papers explore some of the major problems in developmental biology, particularly those relating to cell differentiation, movements, and death; patterning; and intercellular regulation in plants. Organized into 11 chapters, this book begins with an overview of the growth and development of developmental biology as a scientific discipline, with emphasis on the role of the Society for Developmental Biology, and in particular its symposia, in the emergence of the field. The book then discusses the intra- and extracellular factors impinging upon the nucleus and regulating cell differentiation. Some chapters focus on the dynamics of determination in cell systems of insects, morphogenetic movements of animal cells, and patterns at the cell and tissue levels. The reader is also introduced to the correlations between protein structure and function in relation to cell dynamics and differentiation, along with the physiological, biochemical, and molecular biological aspects of intercellular regulation in plants and the role of cell surface in carcinogenesis. The book concludes by suggesting directions for research into the ontogeny of behavior. This book is a valuable source of information for developmental biologists.
Book Synopsis Organization at the Limit by : William Starbuck
Download or read book Organization at the Limit written by William Starbuck and published by John Wiley & Sons. This book was released on 2005-09-12 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book offers important insight relevant to Corporate, Government and Global organizations management in general. The internationally recognised authors tackle vital issues in decision making, how organizational risk is managed, how can technological and organizational complexities interact, what are the impediments for effective learning and how large, medium, and small organizations can, and in fact must, increase their resilience. Managers, organizational consultants, expert professionals, and training specialists; particularly those in high risk organizations, may find the issues covered in the book relevant to their daily work and a potential catalyst for thought and action. A timely analysis of the Columbia disaster and the organizational lessons that can be learned from it. Includes contributions from those involved in the Investigation Board report into the incident. Tackles vital issues such as the role of time pressures and goal conflict in decision making, and the impediments for effective learning. Examines how organizational risk is managed and how technological and organizational complexities interact. Assesses how large, medium, and small organizations can, and in fact must, increase their resilience. Questions our eagerness to embrace new technologies, yet reluctance to accept the risks of innovation. Offers a step by step understanding of the complex factors that led to disaster.
Book Synopsis Nuclear Computational Science by : Yousry Azmy
Download or read book Nuclear Computational Science written by Yousry Azmy and published by Springer Science & Business Media. This book was released on 2010-04-15 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear engineering has undergone extensive progress over the years. In the past century, colossal developments have been made and with specific reference to the mathematical theory and computational science underlying this discipline, advances in areas such as high-order discretization methods, Krylov Methods and Iteration Acceleration have steadily grown. Nuclear Computational Science: A Century in Review addresses these topics and many more; topics which hold special ties to the first half of the century, and topics focused around the unique combination of nuclear engineering, computational science and mathematical theory. Comprising eight chapters, Nuclear Computational Science: A Century in Review incorporates a number of carefully selected issues representing a variety of problems, providing the reader with a wealth of information in both a clear and concise manner. The comprehensive nature of the coverage and the stature of the contributing authors combine to make this a unique landmark publication. Targeting the medium to advanced level academic, this book will appeal to researchers and students with an interest in the progression of mathematical theory and its application to nuclear computational science.
