The New World of Quantum Chemistry

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Publisher : Springer Science & Business Media
ISBN 13 : 9401015236
Total Pages : 352 pages
Book Rating : 4.4/5 (1 download)

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Book Synopsis The New World of Quantum Chemistry by : A. Pullman

Download or read book The New World of Quantum Chemistry written by A. Pullman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bernard PULLMAN During a long period organic chemistry was one of the pre ferred field of exploration for many quantum chemists. It still remains of major interest for a number of them, but altogether it seems as if the center of gravity of the quantum molecular theories became displaced towards different horizons. The dis placement seems in fact to occur in two directions. On the one hand, we see a prominent development of very refined computations for relatively small and frequently inorganic molecular systems with the view of a better and better reproduction of their obser vable properties and thus a better understanding of the fundamen tal principles governing the electronic structure of molecules. On the other hand, there is a no less prominent development of frequently also no less refined computations towards the study of molecular systems which because of their dimensions or the com plexity of the questions which they raise go beyond the usual treatment of organic molecules. These later studies involve in particular the penetration of quantum-mechanical concepts and me thods into the realm of biochemistry, biophysics, and pharma~olo gy. It so happens that because of the nature of the problems in volved this penetration has taken up a double aspect.

The National Union Catalog, Pre-1956 Imprints

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Publisher :
ISBN 13 :
Total Pages : 712 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The National Union Catalog, Pre-1956 Imprints by : Library of Congress

Download or read book The National Union Catalog, Pre-1956 Imprints written by Library of Congress and published by . This book was released on 1970 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Quantum Theory of Atoms in Molecules

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Publisher : John Wiley & Sons
ISBN 13 : 3527610693
Total Pages : 567 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis The Quantum Theory of Atoms in Molecules by : Chérif F. Matta

Download or read book The Quantum Theory of Atoms in Molecules written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2007-06-27 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Quantum Theory of the Chemical Bond

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Publisher : Springer Science & Business Media
ISBN 13 : 9401020957
Total Pages : 119 pages
Book Rating : 4.4/5 (1 download)

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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.

Neither Physics nor Chemistry

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Publisher : MIT Press
ISBN 13 : 0262297876
Total Pages : 367 pages
Book Rating : 4.2/5 (622 download)

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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.

The Monthly Literary Advertiser

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Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.+/5 (18 download)

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Book Synopsis The Monthly Literary Advertiser by :

Download or read book The Monthly Literary Advertiser written by and published by . This book was released on 1844 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Advances in Quantum Chemistry

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Publisher : Academic Press
ISBN 13 : 0080582265
Total Pages : 400 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Advances in Quantum Chemistry by :

Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1964-01-01 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry

Journal of the American Chemical Society

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Publisher :
ISBN 13 :
Total Pages : 1630 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Journal of the American Chemical Society by : American Chemical Society

Download or read book Journal of the American Chemical Society written by American Chemical Society and published by . This book was released on 1957 with total page 1630 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Bent's Literary Advertiser and Register of Engravings, Works on the Fine Arts

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Publisher :
ISBN 13 :
Total Pages : 224 pages
Book Rating : 4.:/5 ( download)

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Book Synopsis Bent's Literary Advertiser and Register of Engravings, Works on the Fine Arts by :

Download or read book Bent's Literary Advertiser and Register of Engravings, Works on the Fine Arts written by and published by . This book was released on 1845 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Mathematical Gazette

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Publisher :
ISBN 13 :
Total Pages : 394 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis The Mathematical Gazette by :

Download or read book The Mathematical Gazette written by and published by . This book was released on 1957 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Labostat – Guide de validation des méthodes d'analyse

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Publisher : Lavoisier
ISBN 13 : 2743064269
Total Pages : 386 pages
Book Rating : 4.7/5 (43 download)

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Book Synopsis Labostat – Guide de validation des méthodes d'analyse by : FEINBERG

Download or read book Labostat – Guide de validation des méthodes d'analyse written by FEINBERG and published by Lavoisier. This book was released on 2012-02-01 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unique en son genre dans sa conception et dans son contenu, Labo-Stat - Guide de validation des méthodes d'analyses présente une nouvelle stratégie de validation selon une démarche raisonnée fondée sur le profil d'exactitude. Les techniques statistiques adaptées y sont explicitées sous une forme didactique et les solutions possibles ainsi que les limites éventuelles de diverses normes existantes sont largement développées et illustrées d'exemples concrets directement exploitables. Les applications numériques, sous forme de feuilles de calcul modèles pour des tableurs et des petits scripts, sont téléchargeables en ligne. Complétée par les explications de cet ouvrage, elles permettent au non-statisticien d'accéder aisément à une interprétration graphique des résultats. Labo-Stat a été conçu pour pouvoir être facilement utilisé sur la paillasse du laboratoire et permettre à tout un chacun, responsable, ingénieur, chercheur, technicien ou étudiant, de s'approprier les techniques indispensables pour déboucher sur une conclusion claire et sans ambiguïté et mener la validation des méthodes dans un souci de contrôle des coûts.

Aspects de la chimie quantique contemporaine, Menton, 8-13 juillet 1970

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Publisher :
ISBN 13 :
Total Pages : 358 pages
Book Rating : 4.:/5 (38 download)

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Book Synopsis Aspects de la chimie quantique contemporaine, Menton, 8-13 juillet 1970 by :

Download or read book Aspects de la chimie quantique contemporaine, Menton, 8-13 juillet 1970 written by and published by . This book was released on 1971 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Localization and Delocalization in Quantum Chemistry

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Publisher : Springer Science & Business Media
ISBN 13 : 9401014566
Total Pages : 470 pages
Book Rating : 4.4/5 (1 download)

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Book Synopsis Localization and Delocalization in Quantum Chemistry by : Odilon Chalvet

Download or read book Localization and Delocalization in Quantum Chemistry written by Odilon Chalvet and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second volume of the proceedings of the international seminar devoted to locali· zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in ionized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation.

The American Journal of Science

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Publisher :
ISBN 13 :
Total Pages : 816 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The American Journal of Science by :

Download or read book The American Journal of Science written by and published by . This book was released on 1957 with total page 816 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Scripta Mathematica

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Publisher :
ISBN 13 :
Total Pages : 372 pages
Book Rating : 4.3/5 (97 download)

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Book Synopsis Scripta Mathematica by :

Download or read book Scripta Mathematica written by and published by . This book was released on 1960 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes section "Book reviews."

洋書速報

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Publisher :
ISBN 13 :
Total Pages : 870 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis 洋書速報 by : 国立国会図書館(Japan)

Download or read book 洋書速報 written by 国立国会図書館(Japan) and published by . This book was released on 1968 with total page 870 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Subject Catalog

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Publisher :
ISBN 13 :
Total Pages : 668 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Subject Catalog by : Library of Congress

Download or read book Subject Catalog written by Library of Congress and published by . This book was released on 1955 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: