Quantum Chemistry of Polymers — Solid State Aspects, J. Ladik; J. Andr?; M. Seel
Автор: Bader, Richard F.W. (Professor of Chemistry, McMas Название: Atoms in Molecules: A Quantum Theory ISBN: 0198558651 ISBN-13(EAN): 9780198558651 Издательство: Oxford Academ Рейтинг: Цена: 77090.00 T Наличие на складе: Невозможна поставка. Описание: The purpose of this monograph is to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics.
Автор: Horia Metiu Название: Physical Chemistry: Quantum Mechanics ISBN: 0815340877 ISBN-13(EAN): 9780815340874 Издательство: Taylor&Francis Рейтинг: Цена: 63280.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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 Рейтинг: Цена: 83080.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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: Michael Ardon; Avi Bino; Jeremy K. Burdett; Peter Название: Solid State Chemistry ISBN: 3662151545 ISBN-13(EAN): 9783662151549 Издательство: Springer Рейтинг: Цена: 113190.00 T Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: Lucjan Piela Название: Ideas of Quantum Chemistry, ISBN: 0444594361 ISBN-13(EAN): 9780444594365 Издательство: Elsevier Science Рейтинг: Цена: 96570.00 T Наличие на складе: Поставка под заказ. 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: Otero de la Roza, Alberto Название: Non-covalent Interactions in Quantum Chemistry and Physics ISBN: 012809835X ISBN-13(EAN): 9780128098356 Издательство: Elsevier Science Рейтинг: Цена: 220090.00 T Наличие на складе: Поставка под заказ. 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.
The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques.
Автор: Arthur S. Wightman; N. Balazs; W. Kohn Название: Part I: Physical Chemistry. Part II: Solid State Physics ISBN: 3642638244 ISBN-13(EAN): 9783642638244 Издательство: Springer Рейтинг: Цена: 113190.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: The fourth volume of the Collected Works is devoted to Wigners contribution to physical chemistry, statistical mechanics and solid-state physics. Although few in number, Wigners articles on solid-state physics laid the foundations for the modern theory of the electronic structure of metals.
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