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Quantum Chemistry



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Цена: 6760р.
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Автор: Levine Ira N
Название:  Quantum Chemistry   (Квантумная химия)
Издательство: Pearson Education
Классификация:
Физическая химия

ISBN: 0136131077
ISBN-13(EAN): 9780136131076
ISBN: 0-13-613107-7
ISBN-13(EAN): 978-0-13-613107-6
Обложка/Формат: Paperback
Страницы: 270
Вес: 0.651 кг.
Дата издания: 08.09.2008
Язык: ENG
Размер: 27.69 x 21.59 x 1.52 cm
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Поставляется из: США



Invitation to Physical Chemistry

Автор: Vemulapalli, G.K.
Название: Invitation to Physical Chemistry
ISBN: 1848163010 ISBN-13(EAN): 9781848163010
Издательство: World Scientific Publishing
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Цена: 6557 р.
Наличие на складе: Поставка под заказ.

Описание: Presents a modern view of the different aspects of physical chemistry. With only the essential examples and steps in derivations given, this title intends to provide students/readers with the big picture first, which they need to keep in mind as they subsequently develop more detailed skills. It also includes a CD-ROM.

Principles And Applications Of Quantum Chemistry

Автор: V.P. Gupta
Название: Principles And Applications Of Quantum Chemistry
ISBN: 0128034785 ISBN-13(EAN): 9780128034781
Издательство: Elsevier Science
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Цена: 6054 р. 6727.00 -10%
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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.

Handbook of Molecular Physics and Quantum Chemistry

Автор: Stephen Wilson
Название: Handbook of Molecular Physics and Quantum Chemistry
ISBN: 0471623741 ISBN-13(EAN): 9780471623748
Издательство: Wiley
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Цена: 151499 р.
Наличие на складе: Поставка под заказ.

Описание: Published in three volumes, this comprehensive reference work brings together in a single source for the first time, a detailed presentation of the most important theoretical concepts and methods for the study of molecules and molecular systems. The logical format of the Handbook allows the reader to progress from the foundations of the field to the most imrtant and exciting areas of current research. Edited and written by an outstanding international team, and containing over 100 articles written by more than 50 contributors, it will be invaluable for both the expert researcher and the graduate student or postdoctoral worker active in any of the broad range of fields where these concepts and methods are important. Comprises three themed volumes: * Fundamentals * Molecular Electronic Structure * Molecules in the Physico--Chemical Environment: Spectroscopy, Dynamics and Bulk Properties * Presents detailed articles covering the key topics, presented in a didactic manner * Focuses both on theory and the relation of experiment to theory Volume 1, Fundamentals presents the foundations of molecular physics and quantum chemistry. It consists of 7 parts arranged as follows:-- Part 1 Introduction Part 2 Elements of Quantum Mechanics Part 3 Orbital Models for Atomic, Molecular and Crystal Structure Part 4 Symmetry Groups and Molecular Structure Part 5 Second Quantization and Many--Body Methods Part 6 Approximate Separation of Electronic and Nuclear Motion Part 7 Quantum Electrodynamics of Atoms and Molecules The central problem of molecular physics and quantum chemistry is the description of atomic and molecular electronic structure. The development of appropriate models for the description of the effects of electron correlation and of relativity are key components of the analysis. Volume 2, Molecular Electronic Structure, addresses these topics, and consists of 7 parts arranged as follows: Part 1 Approximation methods Part 2 Orbital Models and Generalized Product Functions Part 3 Electron correlation Part 4 Relativistic molecular electronic structure Part 5 Electronic structure of large molecules Part 6 Computational quantum chemistry Part 7 Visualization and interpretation of molecular electronic structure In reality no molecular system exists in isolation. Molecules interact with other atoms and molecules, and with their environment. Volume 3, Molecules in the Physico--Chemical Environment -- Spectroscopy, Dynamics and Bulk Properties, consists of 7 parts arranged as follows:-- Part 1 Response theory and propagator methods Part 2 Interactions between molecules Part 3 Molecules in different environments Part 4 Molecular Electronic spectra Part 5 Atomic Spectroscopy and Molecular Vibration--Rotation Spectroscopy Part 6 Molecular dynamics and dynamical processes Part 7 Bulk properties

Quantum Medicinal Chemistry

Автор: Paolo Carloni
Название: Quantum Medicinal Chemistry
ISBN: 3527304568 ISBN-13(EAN): 9783527304561
Издательство: Wiley
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Цена: 11495 р.
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Описание: Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceucal practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools. It is for anyone striving to stay ahead in this rapidly evolving field.

Advances in Quantum Chemistry,40

Автор: Erkki J. Brandas
Название: Advances in Quantum Chemistry,40
ISBN: 0120348403 ISBN-13(EAN): 9780120348404
Издательство: Elsevier Science
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Цена: 20103 р.
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Описание: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing 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 resul

Advances in Quantum Chemistry,38

Автор: John R. Sabin
Название: Advances in Quantum Chemistry,38
ISBN: 0120348381 ISBN-13(EAN): 9780120348381
Издательство: Elsevier Science
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Цена: 20103 р.
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Описание: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing 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 resul

Advances in Quantum Chemistry,34

Автор: Per-Olov Lowden
Название: Advances in Quantum Chemistry,34
ISBN: 0120348349 ISBN-13(EAN): 9780120348343
Издательство: Elsevier Science
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Цена: 18700 р.
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Описание: Advanced chemistry deals with the electronic state of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and computers to solve equations. This series highlights these developments.

Advances In Quantum Chemistry,28

Автор: Lowdin Et Al
Название: Advances In Quantum Chemistry,28
ISBN: 0120348284 ISBN-13(EAN): 9780120348282
Издательство: Elsevier Science
Цена: 14960 р.
Наличие на складе: Невозможна поставка.

Molecular Physics and Elements of Quantum Chemistry / Introduction to Experiments and Theory

Автор: Haken Hermann, Wolf Hans Christoph, Brewer W.D.
Название: Molecular Physics and Elements of Quantum Chemistry / Introduction to Experiments and Theory
ISBN: 3540407928 ISBN-13(EAN): 9783540407928
Издательство: Springer
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Цена: 9611 р.
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Описание: This textbook introduces the molecular physics and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy. Particular emphasis is laid on the optical investigation of single molecules in condensed phase. Finally, the developing field of molecular electronics is presented, including electroluminescence and light-emitting diodes.

Fundamentals of Quantum Chemistry / Molecular Spectroscopy and Modern Electronic Structure Computations

Автор: Mueller Michael
Название: Fundamentals of Quantum Chemistry / Molecular Spectroscopy and Modern Electronic Structure Computations
ISBN: 0306465965 ISBN-13(EAN): 9780306465963
Издательство: Springer
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Цена: 12233 р.
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Описание: This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods. The use of electronic structure computations is a timely subject as its applications in both theoretical and experimental chemical research is increasingly prevalent. This text is written in a format that fosters mastery of the subject both in competency in the mathematics and in obtaining a conceptual understanding of quantum mechanics. The chemistry student's interest is maintained early on in the text where quantum mechanics is developed by applying it to molecular spectroscopy and through conceptual questions labeled as Chemical Connection. Questions throughout the text labeled as Chemical Connection and Points of Further Understanding focus on conceptual understanding and consequences of quantum mechanics. If an Instructor chooses, these questions can be used as a basis for classroom discussion encouraging cooperative learning techniques. This text provides a solid foundation from which students can readily build further knowledge of quantum chemistry in more advanced courses. In cases where this is a final course in quantum chemistry, this text provides the student not only with an appreciation of the importance of quantum mechanics to chemistry, but also with a practical guide to using electronic structure computations.

Fundamental World of Quantum Chemistry (volumes 1 & 2) / A Tribute to the Memory of Per-Olov Löwdin

Автор: BrГ¤ndas Erkki J., Kryachko E.S.
Название: Fundamental World of Quantum Chemistry (volumes 1 & 2) / A Tribute to the Memory of Per-Olov LГ¶wdin
ISBN: 1402012861 ISBN-13(EAN): 9781402012860
Издательство: Springer
Цена: 36372 р.
Наличие на складе: Невозможна поставка.

Описание: Per-Olov LГ¶wdin's stature is a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances of Quantum Chemistry, and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry forms a collection of papers dedicated to the memory of Per-Olov LГ¶wdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science. The volumes will be accessible to all levels, from students, PhD students, and postdocs to their supervisors.

Simple Theorems, Proofs and Derivations in Quantum Chemistry

Автор: Mayer Istvan
Название: Simple Theorems, Proofs and Derivations in Quantum Chemistry
ISBN: 0306474093 ISBN-13(EAN): 9780306474095
Издательство: Springer
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Цена: 14854 р.
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Описание: This is an advanced volume on quantum chemistry that will be useful for graduate students and as a reference for people in or moving into the field. It will be multi-disciplinary in nature, attracting a market in physical chemistry, spectroscopy, physics, and materials science.


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