Developpement Dune Methode De Chimie Quantique Melant Plusieurs Niveaux De Theorie

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Développement d'une méthode de chimie quantique mêlant plusieurs niveaux de théorie

Author : Pierre-François Loos
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (494 download)

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Book Synopsis Développement d'une méthode de chimie quantique mêlant plusieurs niveaux de théorie by : Pierre-François Loos

Download or read book Développement d'une méthode de chimie quantique mêlant plusieurs niveaux de théorie written by Pierre-François Loos and published by . This book was released on 2008 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ces dix dernières années, les méthodes hybrides QM/MM combinant la mécanique quantique (QM) et la mécanique moléculaire (MM) se sont revélées particulièrement bien adaptées à l'étude des systèmes chimiques et biologiques. Elles ont permis la compréhension de nombreux phénomènes intervenant dans les macromolécules. Cependant, certaines situations requièrent une attention spéciale et/ou un niveau d'analyse et de théorie plus poussé. Ainsi, de nombreux développements sont nécessaires pour atteindre un niveau de précision suffisant à la compréhension du phénomène biochimique étudié. Afin d'atteindre cet objectif, plusieurs spécificités théoriques et méthodologiques sont en continuelle amélioration : (i) la jonction QM/MM est toujours un sujet délicat dans les méthodes mixtes et un axe de recherche très fécond. (ii) la complexité des mécanismes étudiés impose un traitement de la partie QM à des niveaux post-HF. Dans cette thèse, nous présenterons principalement la méthode Local Self-Consistent Field (LSCF), ainsi que ses derniers développements méthodologiques. Dans cette approche, la jonction entre les parties QM et MM est représentée à l'aide d'une orbitale localisée. Nous montrerons qu'elle permet de traiter de façon rigoureuse un grand nombre de situations faisant intervenir des systèmes biologiques, comme les ionisations de coeur et les spectres d'absorption UV-vis de polypeptides fonctionalisés. De plus, nous présenterons quelques développements théoriques, comme la dérivation détaillée des équations Coupled-Perturbed Hartree-Fock dans le cadre de la méthode LSCF, ainsi que les principales étapes aboutissant à la détermination des gradients de l'énergie MP2.

Éléments de chimie quantique à l'usage des chimistes

Author : Jean-Louis Rivail
Publisher : L'Editeur : EDP Sciences
ISBN 13 : 9782271052414
Total Pages : 435 pages
Book Rating : 4.0/5 (524 download)

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Book Synopsis Éléments de chimie quantique à l'usage des chimistes by : Jean-Louis Rivail

Download or read book Éléments de chimie quantique à l'usage des chimistes written by Jean-Louis Rivail and published by L'Editeur : EDP Sciences. This book was released on 1999 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.

Buyology

Author : Martin Lindstrom
Publisher : Currency
ISBN 13 : 0385523890
Total Pages : 274 pages
Book Rating : 4.3/5 (855 download)

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Book Synopsis Buyology by : Martin Lindstrom

Download or read book Buyology written by Martin Lindstrom and published by Currency. This book was released on 2010-02-02 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: NEW YORK TIMES BESTSELLER • “A fascinating look at how consumers perceive logos, ads, commercials, brands, and products.”—Time How much do we know about why we buy? What truly influences our decisions in today’s message-cluttered world? In Buyology, Martin Lindstrom presents the astonishing findings from his groundbreaking three-year, seven-million-dollar neuromarketing study—a cutting-edge experiment that peered inside the brains of 2,000 volunteers from all around the world as they encountered various ads, logos, commercials, brands, and products. His startling results shatter much of what we have long believed about what captures our interest—and drives us to buy. Among the questions he explores: • Does sex actually sell? • Does subliminal advertising still surround us? • Can “cool” brands trigger our mating instincts? • Can our other senses—smell, touch, and sound—be aroused when we see a product? Buyology is a fascinating and shocking journey into the mind of today's consumer that will captivate anyone who's been seduced—or turned off—by marketers' relentless attempts to win our loyalty, our money, and our minds.

The Disappearing Computer

Author : Norbert Streitz
Publisher : Springer
ISBN 13 : 3540727272
Total Pages : 314 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis The Disappearing Computer by : Norbert Streitz

Download or read book The Disappearing Computer written by Norbert Streitz and published by Springer. This book was released on 2007-07-20 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines how the computer, as we currently know it, will be replaced by a new generation of technologies, moving computing off the desktop and ultimately integrating it with real world objects and everyday environments. It provides a unique combination of concepts, methods and prototypes of ubiquitous and pervasive computing reflecting the current interest in smart environments and ambient intelligence.

Complexity Theory and the Philosophy of Education

Author : Mark Mason
Publisher : John Wiley & Sons
ISBN 13 : 1444307363
Total Pages : 256 pages
Book Rating : 4.4/5 (443 download)

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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

The Modern Procession

Author : Francis Alÿs
Publisher :
ISBN 13 :
Total Pages : 168 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The Modern Procession by : Francis Alÿs

Download or read book The Modern Procession written by Francis Alÿs and published by . This book was released on 2004 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: On the morning of Sunday, June 23, 2002, 100 participants gathered at The Museum of Modern Art in midtown Manhattan, along with a 12-person Peruvian brass band, and a horse, dogs, and numerous palanquins, atop which sat replicas of three masterpieces from the museum's collection--Picasso's "Les Demoiselles d'Avignon," Duchamp's ready-made "Bicycle Wheel" and a Giacometti--and a living representative of contemporary art, Kiki Smith. Three hours later they ended their procession at the museum's new temporary home, in Queens. Along the way, which ran from 11 West 53 Street, over the Queensboro Bridge, and up Queens Boulevard, the procession absorbed 100 additional participants, and enacted a very public spectacle--part saint's day procession and part secular celebration--of the museum's historic move to MoMA QNS.

Organic Solid-State Lasers

Author : Sébastien Forget
Publisher : Springer
ISBN 13 : 3642367054
Total Pages : 179 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Organic Solid-State Lasers by : Sébastien Forget

Download or read book Organic Solid-State Lasers written by Sébastien Forget and published by Springer. This book was released on 2013-07-03 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic lasers are broadly tunable coherent sources, potentially compact, convenient and manufactured at low-costs. Appeared in the mid 60’s as solid-state alternatives for liquid dye lasers, they recently gained a new dimension after the demonstration of organic semiconductor lasers in the 90's. More recently, new perspectives appeared at the nanoscale, with organic polariton and surface plasmon lasers. After a brief reminder to laser physics, a first chapter exposes what makes organic solid-state organic lasers specific. The laser architectures used in organic lasers are then reviewed, with a state-of-the-art review of the performances of devices with regard to output power, threshold, lifetime, beam quality etc. A survey of the recent trends in the field is given, highlighting the latest developments with a special focus on the challenges remaining for achieving direct electrical pumping of organic semiconductor lasers. A last chapter covers the applications of organic solid-state lasers.

Mathematics, Education and History

Author : Kathleen M. Clark
Publisher : Springer
ISBN 13 : 3319739247
Total Pages : 389 pages
Book Rating : 4.3/5 (197 download)

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Book Synopsis Mathematics, Education and History by : Kathleen M. Clark

Download or read book Mathematics, Education and History written by Kathleen M. Clark and published by Springer. This book was released on 2018-03-30 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book includes 18 peer-reviewed papers from nine countries, originally presented in a shorter form at TSG 25 The Role of History of Mathematics in Mathematics Education, as part of ICME-13 during. It also features an introductory chapter, by its co-editors, on the structure and main points of the book with an outline of recent developments in exploring the role of history and epistemology in mathematics education. It serves as a valuable contribution in this domain, by making reports on recent developments in this field available to the international educational community, with a special focus on relevant research results since 2000. The 18 chapters of the book are divided into five interrelated parts that underlie the central issues of research in this domain: 1. Theoretical and conceptual frameworks for integrating history and epistemology in mathematics in mathematics education; 2. Courses and didactical material: Design, implementation and evaluation; 3. Empirical investigations on implementing history and epistemology in mathematics education; 4. Original historical sources in teaching and learning of and about mathematics; 5. History and epistemology of mathematics: Interdisciplinary teaching and sociocultural aspects. This book covers all levels of education, from primary school to tertiary education, with a particular focus on teacher education. Additionally, each chapter refers to and/or is based on empirical research, in order to support, illuminate, clarify and evaluate key issues, main questions, and conjectured theses raised by the authors or in the literature on the basis of historical-epistemological or didactical-cognitive arguments.

Creating Futures

Author : Michel Godet
Publisher :
ISBN 13 : 9782717852448
Total Pages : 0 pages
Book Rating : 4.8/5 (524 download)

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Book Synopsis Creating Futures by : Michel Godet

Download or read book Creating Futures written by Michel Godet and published by . This book was released on 2006 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Laser: 50 Years Of Discoveries

Author : Fabien Bretenaker
Publisher : World Scientific
ISBN 13 : 9814612421
Total Pages : 185 pages
Book Rating : 4.8/5 (146 download)

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Book Synopsis Laser: 50 Years Of Discoveries by : Fabien Bretenaker

Download or read book Laser: 50 Years Of Discoveries written by Fabien Bretenaker and published by World Scientific. This book was released on 2014-10-27 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book provides an overview of the principle and applications of lasers enriched with numerous illustrations.Being over fifty years old, lasers continue to amaze us. Their performance characteristics are constantly reaching new limits, and the scope of their applications continues to expand. Yet, it took years of effort by teams of physicists to transform the fundamental notions of Einstein into the first experimental beam of laser light. And history is still going on as fundamental research is now triggered by its remarkable properties.This book addresses every aspects of laser light, from its fundamental principles to its industrial applications, at a level particularly suited for high school teachers, students, and anybody curious about science and technology.

Network Coding

Author : Khaldoun Al Agha
Publisher : John Wiley & Sons
ISBN 13 : 1118563107
Total Pages : 171 pages
Book Rating : 4.1/5 (185 download)

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Book Synopsis Network Coding by : Khaldoun Al Agha

Download or read book Network Coding written by Khaldoun Al Agha and published by John Wiley & Sons. This book was released on 2012-12-27 with total page 171 pages. Available in PDF, EPUB and Kindle. Book excerpt: Network coding, a relatively new area of research, has evolved from the theoretical level to become a tool used to optimize the performance of communication networks – wired, cellular, ad hoc, etc. The idea consists of mixing “packets” of data together when routing them from source to destination. Since network coding increases the network performance, it becomes a tool to enhance the existing protocols and algorithms in a network or for applications such as peer-to-peer and TCP. This book delivers an understanding of network coding and provides a set of studies showing the improvements in security, capacity and performance of fixed and mobile networks. This is increasingly topical as industry is increasingly becoming more reliant upon and applying network coding in multiple applications. Many cases where network coding is used in routing, physical layer, security, flooding, error correction, optimization and relaying are given – all of which are key areas of interest. Network Coding is the ideal resource for university students studying coding, and researchers and practitioners in sectors of all industries where digital communication and its application needs to be correctly understood and implemented. Contents 1. Network Coding: From Theory to Practice, Youghourta Benfattoum, Steven Martin and Khaldoun Al Agha. 2. Fountain Codes and Network Coding for WSNs, Anya Apavatjrut, Claire Goursaud, Katia Jaffrès-Runser and Jean-Marie Gorce. 3. Switched Code for Ad Hoc Networks: Optimizing the Diffusion by Using Network Coding, Nour Kadi and Khaldoun Al Agha. 4. Security by Network Coding, Katia Jaffrès-Runser and Cédric Lauradoux. 5. Security for Network Coding, Marine Minier, Yuanyuan Zhang and Wassim Znaïdi. 6. Random Network Coding and Matroids, Maximilien Gadouleau. 7. Joint Network-Channel Coding for the Semi-Orthogonal MARC: Theoretical Bounds and Practical Design, Atoosa Hatefi, Antoine O. Berthet and Raphael Visoz. 8. Robust Network Coding, Lana Iwaza, Marco Di Renzo and Michel Kieffer. 9. Flow Models and Optimization for Network Coding, Eric Gourdin and Jeremiah Edwards.

Electrodynamics from Ampère to Einstein

Author : Olivier Darrigol
Publisher : Oxford University Press
ISBN 13 : 9780198505938
Total Pages : 566 pages
Book Rating : 4.5/5 (59 download)

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Book Synopsis Electrodynamics from Ampère to Einstein by : Olivier Darrigol

Download or read book Electrodynamics from Ampère to Einstein written by Olivier Darrigol and published by Oxford University Press. This book was released on 2003-06-26 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book recounts the developments of fundamental electrodynamics from Ampère's investigation of the forces between electric currents to Einstein's introduction of a new doctrine of space and time. The emphasis is on the diverse, evolving practices of electrodynamics and the interactions between the corresponding scientific traditions. A richly documented, clearly written, and abundantly illustrated history of the subject.

Albert Einstein, Mileva Maric

Author : Albert Einstein
Publisher : Princeton University Press
ISBN 13 : 0691088861
Total Pages : 139 pages
Book Rating : 4.6/5 (91 download)

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Book Synopsis Albert Einstein, Mileva Maric by : Albert Einstein

Download or read book Albert Einstein, Mileva Maric written by Albert Einstein and published by Princeton University Press. This book was released on 2000-11-16 with total page 139 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fifty-four love letters portray the caring relationship between Albert Einstein and his first wife by showing how Maric acted as the genius's intellectual confidant during his isolated years at Princeton.

Albert Einstein

Author : Anton Reiser
Publisher :
ISBN 13 : 9781258066444
Total Pages : 244 pages
Book Rating : 4.0/5 (664 download)

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Book Synopsis Albert Einstein by : Anton Reiser

Download or read book Albert Einstein written by Anton Reiser and published by . This book was released on 2011-07-01 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Collected Papers of Albert Einstein: The early years, 1879-1902

Author : Albert Einstein
Publisher :
ISBN 13 :
Total Pages : 228 pages
Book Rating : 4.:/5 (5 download)

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Book Synopsis The Collected Papers of Albert Einstein: The early years, 1879-1902 by : Albert Einstein

Download or read book The Collected Papers of Albert Einstein: The early years, 1879-1902 written by Albert Einstein and published by . This book was released on 1987 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Children Helping Children

Author : Hugh C. Foot
Publisher :
ISBN 13 :
Total Pages : 416 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Children Helping Children by : Hugh C. Foot

Download or read book Children Helping Children written by Hugh C. Foot and published by . This book was released on 1990-05-14 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: This fascinating compilation reviews the recent research on children's helping relationships outside the classroom setting. The focus is on the application of peer group help in familial, medical, therapeutic and health education contexts. Features ideas and insights from an impressive field of international contributors who offer a broad array of theoretical and practical perspectives on the issues surrounding children's helping relationships.

Albert Einstein

Author : Albrecht Fölsing
Publisher : Penguin (Non-Classics)
ISBN 13 : 9780140237191
Total Pages : 932 pages
Book Rating : 4.2/5 (371 download)

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Book Synopsis Albert Einstein by : Albrecht Fölsing

Download or read book Albert Einstein written by Albrecht Fölsing and published by Penguin (Non-Classics). This book was released on 1998 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a book that is both an engaging portrait of a genius and a distillation of scientific thought, Folsing sheds light on Einstein's development and the complexity of his being. of photos.