Fundamental World of Quantum Chemistry, Erkki J. Br?ndas; Eugene S. Kryachko

Автор: Lucjan Piela
Название: Ideas of Quantum Chemistry,
ISBN: 0444594361 ISBN-13(EAN): 9780444594365
Издательство: Elsevier Science
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Описание: Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book.

Автор: Horia Metiu
Название: Physical Chemistry: Quantum Mechanics
ISBN: 0815340877 ISBN-13(EAN): 9780815340874
Издательство: Taylor&Francis
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Описание: Physical Chemistry is a new undergraduate textbook by Horia Metiu published as four separate paperback volumes. These four volumes combine a clear and thorough presentation of the theoretical and mathematical aspects of the subject with examples and applications drawn from current industrial and academic research. By using the computer

Автор: V.P. Gupta
Название: Principles And Applications Of Quantum Chemistry
ISBN: 0128034785 ISBN-13(EAN): 9780128034781
Издательство: Elsevier Science
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Описание: Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules.

Автор: Otero de la Roza, Alberto
Название: Non-covalent Interactions in Quantum Chemistry and Physics
ISBN: 012809835X ISBN-13(EAN): 9780128098356
Издательство: Elsevier Science
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Описание:

Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications.

Автор: Atkins, Peter (Fellow of Lincoln College, University of Oxford) De Paula, Julio (Professor of Chemistry and Dean of College of Arts & Sciences, Lewis
Название: Physical Chemistry for the Life Sciences, 2010
ISBN: 0199564280 ISBN-13(EAN): 9780199564286
Издательство: Oxford Academ
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Цена: 23442.00 р.
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Описание: Provides a rich collection of analytical essays penned by those who have been closely associated with Pradeep worldwide. The broad message that comes from the contributions is the importance of open global trading systems, competitive and contestable markets domestically, coordination and regulation of national and global action on this, effective partnerships and representative global governance.

Автор: Oskar Nuyken
Название: Neodymium Based Ziegler Catalysts - Fundamental Chemistry
ISBN: 3642071120 ISBN-13(EAN): 9783642071126
Издательство: Springer
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Описание: Even though Ziegler catalysts have been known for almost half a century, rare earth metals (Ln), particularly neodymium (Nd)-based Ziegler catalyst systems, only came into the focus of industrial and academic research well afterthelargescaleapplicationoftitanium, cobaltandnickelcatalystsystems. Asadirectconsequenceofthelaterecognitionofthetechnologicalpotentialof rareearthmetalZieglercatalysts, thesesystemshaveattractedmuchattention. Considerable progress has been made in this ?eld as a result of intensive workperformed during the last fewyears. Worthmentioning is thestructural identi?cation of a variety of Ln/Al heterobimetallic complexes and the role of alkyl aluminum cocatalysts in molar mass control. Furthermore, a deeper understanding ofthe polymerization mechanism, suchas theliving character of neodymium-catalyzed diene polymerization associated with the reversible transfer of living polymer chains between Nd and Al, was revealed quite - cently. In spite of the vast number of patents and publications mainly issued duringthelastdecade, acomprehensivereviewthatcoversthescienti?caswell as the patent literature has been missing until now. In this volume we try to review the available literature by two independent approaches to Nd and Ln-catalyzed diene polymerizations. In the ?rst part of thevolume, whichisentitled"Neodymium-Based Ziegler/NattaCatalystsand their Application in Diene Polymerization", a polymer chemist's view is given with strong emphasis on Nd-based catalyst systems. Also technological and industrialaspectsofNd-catalyzeddienepolymerizationsareaddressed.Inthe secondpartofthevolume, whichisentitled"Rare-EarthMetalsandAluminum Getting Close in Ziegler-type Organometallics", a more organometallic p- spective isgivenandLn-based catalystsystems areaddressed. Bythesynopsis of these different perspectives, the reader will comprehend the complexity of Ln-based Ziegler catalyst systems and their application to the polymerization of dienes. This volume also gives a description ofthe evolution in Nd-catalyzed po- merization of dienes from the early works to the current state of the art.

Автор: Davis William M
Название: Physical Chemistry
ISBN: 143981077X ISBN-13(EAN): 9781439810774
Издательство: Taylor&Francis
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Описание:

Designed for a two-semester introductory course sequence in physical chemistry, Physical Chemistry: A Modern Introduction, Second Edition offers a streamlined introduction to the subject. Focusing on core concepts, the text stresses fundamental issues and includes basic examples rather than the myriad of applications often presented in other, more encyclopedic books. Physical chemistry need not appear as a large assortment of different, disconnected, and sometimes intimidating topics. Instead, students should see that physical chemistry provides a coherent framework for chemical knowledge, from the molecular to the macroscopic level.