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Chimie Quantique
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Book Synopsis The World of Quantum Chemistry by : R. Daudel
Download or read book The World of Quantum Chemistry written by R. Daudel and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the First International Congress of Quantum Chemistry, held at Menton, France, July 4-10, 1973
Book Synopsis First European Congress of Mathematics by : Anthony Joseph
Download or read book First European Congress of Mathematics written by Anthony Joseph and published by Nelson Thornes. This book was released on 1994-08 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book contains the round table reports of the first European Congress of Mathematics, a new feature of this Congress devoted to furthering the contribution of mathematics to society and reporting on its interaction with the exact and social sciences. Topics: • Mathematics and the general public • Women and mathematics • Mathematics and educational policy • Let's cultivate mathematics! • Mathematical Europe: Myth or historical reality? • Philosophie des mathématiques : pourquoi ? comment ? • Mathématiques et sciences sociales • Mathe- matics and industry • Degree harmonization and student exchange programmes • The Pythagoras programme • Collaboration with devel- oping countries • Mathematical libraries in Europe • Mathematics and economics • Mathématiques et Chimie • Mathematics in medicine and biology. This book is also available in hardcover as Volume 121 of the series Progress in Mathematics, where it forms part of the three-volume set First European Congress of Mathematics. Volumes I (Invited Lectures Part 1) and II (Invited Lectures Part 2) of this set are also available separately as Volumes 119 and 120, respectively, of Progress in Mathematics.
Book Synopsis Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry by : A. Veillard
Download or read book Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry written by A. Veillard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures.
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1997-03-20 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics,chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area. "Volume 28 collects papers written in honor of Geerd H.F. Diercksen. Diercksen is a pioneer in the field of quantum mechanics whose research includes studies of the structure and stability of hydrogen-bonded and Van der Waals dimers and small clusters, thevibrational and rotational spectra of diatomic and triatomic molecules, on static electric properties in solutions and of molecules absorbed on surfaces. His results are essential in molecular and atomic physics, in astrophysics, and in biochemistry.
Download or read book LECONS SUR LA PHYSIQUE written by and published by . This book was released on 2000 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantum Theory of the Chemical Bond by : R. Daudel
Download or read book Quantum Theory of the Chemical Bond written by R. Daudel and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics. The discussion of the material has been arranged so as to render its main content comprehensible for readers who may not have had pre"ious training in quantum mechanics. The text comprises three major parts. It begins with an exposition of the fundamental ideas. In this section the principles are reviewed from which de Broglie developed his mechanics; this allows the book to be read by chemistry majors and freshmen alike. However, we believe that it may also be of interest to university-and college teachers who must include certain aspects of quantum chemistry into their courses while being insufficiently familiar with the subject. It may even be of interest to science teachers in secondary schools. Finally, having been a witness to the evolution of these notions for over a quarter of a century, we present certain concepts from a particular point of view which might prove attractive to chemists of all kinds, perhaps even quantum chemists. The second, more technical part summarizes the methods of constructing wave functions that describe the electrons in molecules. This section can only be fully appreciated by those readers who are familiar with some aspects of the algorithms used in quantum mechanics.
Book Synopsis Quantum Dynamics of Molecules by : R. G. Woolley
Download or read book Quantum Dynamics of Molecules written by R. G. Woolley and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advanced Study Institute on "Quantum Dynamics of Molecules: The New Experimental Challenge to Theorists," which was sponsored by the Scientific Affairs Division of NATO, was held at Trinity Hall, Ca~bridge, England from September 15th till September 29th, 1979. In all, a total of 79 lecturers and students attended the meeting: they had diverse backgrounds in chemistry, physics and mathematics. In my proposal to NATO requesting financial support for an Advanced Study Institute, I suggested that molecular physics was facing a qualitatively new experimental situation in which the exploration of previously inaccessible dynamical phenomena would become of increasing importance. At the same time I was aware that in recent years powerful theoretical techniques, that might prove crucial tools for the interpretation of the new experiments, have been developed in mathematics and theoretical physics. The aim of the ASI was to review at an advanced level these recent developments, juxtaposing new theory with new experimental pos sibilities in the hope that the participants in the-Institute would through their subsequent work increase the awareness of the whole molecular theory community of the changing nature of chemical physics. The recent developments in laser spectroscopy, particle scatter ing experiments and molecular beam technology imply that an entirely new class of phenomena involving molecules in gasses and liquids can now be investigated.
Book Synopsis Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory by : E. Kochanski
Download or read book Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory written by E. Kochanski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this paper is to recall fundamental notions of the molecular spectroscopy and dynamics, necessary for discussion of photophysical and photochemical processes in condensed phases. We will thus treat in a more detailed way the specific features which are important for molecular systems strongly interacting with their environment. Other aspects such as the time evolution of isolated molecules, single-level excitation and state-to-state chemistry, important for the gas-phase photophysics are omitted. We start (Sec.2) with a brief description of radiative processes (light absorption and emission) in molecules. In the quantum-mechanical treatment of this problem, the appropriate basis is that of so-called zero-order states, corresponding to the traditional scheme of electronic states (singlets, doublets, triplets etc.) and vibrational levels belonging to each state. The important point will be deduction of selection rules for most radiative transitions. At this stage all molecular states are considered as stationary states. In order to treat the breakdown of simple selection rules and non-radiative transitions between individual molecular states, it is necessary to take into account the mechanisms coupling the zero-order states (Sec.3). We will first focus on intramolecular coupling effects and then discuss the solvent effects on intramolecular relaxation processes. The problem of the non-radiative transfer of the electronic energy between different molecules - closely related to that of the energy dissipation within a single molecule will be treated in Sec.4.
Author : Publisher :Odile Jacob ISBN 13 :2738178634 Total Pages :315 pages Book Rating :4.7/5 (381 download)
Download or read book written by and published by Odile Jacob. This book was released on with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantum Theory at the Crossroads by : Guido Bacciagaluppi
Download or read book Quantum Theory at the Crossroads written by Guido Bacciagaluppi and published by Cambridge University Press. This book was released on 2009-10-22 with total page 557 pages. Available in PDF, EPUB and Kindle. Book excerpt: Translation of the Fifth Solvay Congress proceedings, for graduate students and researchers in physics and quantum theory.
Book Synopsis Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology by : Matti Hotokka
Download or read book Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology written by Matti Hotokka and published by Springer Science & Business Media. This book was released on 2013-09-13 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology. New trends and state-of-the-art developments in the quantum theory of atomic and molecular systems, and condensed matter (including biological systems and nanostructures) are described by academics of international distinction.
Book Synopsis Neither Physics nor Chemistry by : Kostas Gavroglu
Download or read book Neither Physics nor Chemistry written by Kostas Gavroglu and published by MIT Press. This book was released on 2011-10-07 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: The evolution of a discipline at the intersection of physics, chemistry, and mathematics. Quantum chemistry—a discipline that is not quite physics, not quite chemistry, and not quite applied mathematics—emerged as a field of study in the 1920s. It was referred to by such terms as mathematical chemistry, subatomic theoretical chemistry, molecular quantum mechanics, and chemical physics until the community agreed on the designation of quantum chemistry. In Neither Physics Nor Chemistry, Kostas Gavroglu and Ana Simões examine the evolution of quantum chemistry into an autonomous discipline, tracing its development from the publication of early papers in the 1920s to the dramatic changes brought about by the use of computers in the 1970s. The authors focus on the culture that emerged from the creative synthesis of the various traditions of chemistry, physics, and mathematics. They examine the concepts, practices, languages, and institutions of this new culture as well as the people who established it, from such pioneers as Walter Heitler and Fritz London, Linus Pauling, and Robert Sanderson Mulliken, to later figures including Charles Alfred Coulson, Raymond Daudel, and Per-Olov Löwdin. Throughout, the authors emphasize six themes: epistemic aspects and the dilemmas caused by multiple approaches; social issues, including academic politics, the impact of textbooks, and the forging of alliances; the contingencies that arose at every stage of the developments in quantum chemistry; the changes in the field when computers were available to perform the extraordinarily cumbersome calculations required; issues in the philosophy of science; and different styles of reasoning.
Book Synopsis Molecules in Physics, Chemistry, and Biology by : J. Maruani
Download or read book Molecules in Physics, Chemistry, and Biology written by J. Maruani and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 699 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Book Synopsis Dictionnaire chimique et technologique des sciences biologiques A/F (4e ed.) by : DUPAYRAT Jacques
Download or read book Dictionnaire chimique et technologique des sciences biologiques A/F (4e ed.) written by DUPAYRAT Jacques and published by Lavoisier. This book was released on 2012-06-01 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ce "Dictionnaire chimique et technologique des sciences biologiques" est en fait à la fois un dictionnaire de chimie organique et de tous les domaines directement connexes, à savoir entre autres : pharmacologie, biochimie, biologie moléculaire, chimie des substances naturelles. Il comporte de ce fait un important nombre d'entrées (environ 16 500) concernant aussi bien les méthodes analytiques et spectrométriques mises en jeu dans ces différentes disciplines que les techniques de transformation ou de mise en forme (galénique dans le cas de la pharmacie p.ex.). Il m'a paru également souhaitable, puisque la base de cet ouvrage est la chimie organique, d'y introduire le maximum de noms de réactions (réactions "à noms propres") avec leurs définitions. Enfin, on ne sera pas surpris de trouver dans ce dictionnaire un grand nombre d'acronymes, ces derniers étant largement utilisés dans les communications et ouvrages scientifiques et présentant éventuellement des problèmes de compréhension, en particulier pour des traducteurs scientifiques parfois mal familiarisés avec certaines techniques. En conclusion cet ouvrage s'adresse non seulement aux étudiants, chercheurs et enseignants, mais également à tout lecteur de livres techniques ou de vulgarisation, sans oublier enfin les traducteurs scientifiques.
Book Synopsis Quantum Biochemistry by : Chérif F. Matta
Download or read book Quantum Biochemistry written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2010-01-14 with total page 978 pages. Available in PDF, EPUB and Kindle. Book excerpt: Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
Book Synopsis Computational Methods in Catalysis and Materials Science by : Rutger A. van Santen
Download or read book Computational Methods in Catalysis and Materials Science written by Rutger A. van Santen and published by John Wiley & Sons. This book was released on 2015-11-19 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport properties of catalytically interesting materials. Edited and authored by internationally recognized scientists, the text provides examples that may be considered and followed as state-of-the art.
Author :Phillip R. Westmoreland Publisher :Springer Science & Business Media ISBN 13 :9401707650 Total Pages :596 pages Book Rating :4.4/5 (17 download)
Book Synopsis Applying Molecular and Materials Modeling by : Phillip R. Westmoreland
Download or read book Applying Molecular and Materials Modeling written by Phillip R. Westmoreland and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
