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



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Цена: 12233р.
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Наличие: Поставка под заказ.  Есть в наличии на складе поставщика.
Склад Англия: 904 шт.  Склад Америка: 65 шт.  
При оформлении заказа до: 17 июл 2020
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Автор: Mueller Michael
Название:  Fundamentals of Quantum Chemistry / Molecular Spectroscopy and Modern Electronic Structure Computations
Издательство: Springer
Классификация:
Лабораторные методы, эксперименты
Физическая химия

ISBN: 0306465965
ISBN-13(EAN): 9780306465963
ISBN: 0-306-46596-5
ISBN-13(EAN): 978-0-306-46596-3
Обложка/Формат: Hardback
Страницы: 280
Вес: 1.26 кг.
Дата издания: 2001
Язык: ENG
Иллюстрации: Biography
Размер: 24.38 x 18.49 x 2.39 cm
Читательская аудитория: Postgraduate, research & scholarly
Подзаголовок: Molecular spectroscopy and modern electronic structure computations
Ссылка на Издательство: Link
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Поставляется из: Германии
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 students 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.
Дополнительное описание: Язык: eng
Оглавление: Acknowledgements. Foreword. Preface. 1. Classical Mechanics. 2. Fundamentals of Quantum Mechanics. 3. Rotational Motion. 4. Techniques of Approximation. 5. Particles Encountering a Finite Potential Energy. 6. Vibrational/Rotational Spectroscopy of Diatomic Molecules. 7. Vibrational and Rotational Spectroscopy of Polyatomic Molecules. 8. Atomic Structure and Spectra. 9. Methods of Molecular Electronic Structure Computations. Appendices. Index.





Atomistic Approaches in Modern Biology / From Quantum Chemistry to Molecular Simulations

Автор: Reiher Markus
Название: Atomistic Approaches in Modern Biology / From Quantum Chemistry to Molecular Simulations
ISBN: 3540380825 ISBN-13(EAN): 9783540380825
Издательство: Springer
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Цена: 40112 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts. This series remains valid and useful after 5 or 10 years.More information as well as the electronic version of the whole content available at: springerlink.com.

Molecular Electronic-Structure Theory

Автор: Helgaker
Название: Molecular Electronic-Structure Theory
ISBN: 1118531477 ISBN-13(EAN): 9781118531471
Издательство: Wiley
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Цена: 7002 р.
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Описание: Molecular electronic-structure theory uses quantum mechanics to calculate the energies and wave functions of molecules and their molecular properties. It uses sophisticated mathematics and computers to solved the wave equations. The calculations can be used to find out how the atoms of the molecule are linked together in a molecule.

Conical intersections: electronic structure, dynamics & spectroscopy

Название: Conical intersections: electronic structure, dynamics & spectroscopy
ISBN: 9812386726 ISBN-13(EAN): 9789812386724
Издательство: World Scientific Publishing
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Цена: 33150 р.
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Описание: It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical-physics literature. Section I of the book provides a comprehensive analysis of the lectronic-structure aspects of conical intersections.

Section II shows the importance of conical intersections in chemical-reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections for researchers in the fields of molecular electronic-structure theory, molecular spectroscopy, photochemistry and chemical-reaction dynamics.

Modern NMR Spectroscopy: A Guide for Chemists

Автор: Sanders, Jeremy K.M. (Reader in Chemistry, Univers
Название: Modern NMR Spectroscopy: A Guide for Chemists
ISBN: 0198555679 ISBN-13(EAN): 9780198555674
Издательство: Oxford Academ
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Цена: 6556 р.
Наличие на складе: Невозможна поставка.

Описание: Provides a non-mathematical, descriptive account of nuclear magnetic resonance spectroscopy, taking examples from organic, inorganic and biological chemistry. This second edition has been updated to cover many new examples and spectra.

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.

Relativistic Electronic Structure Theory - Fundamentals,11

Автор: Peter Schwerdtfeger
Название: Relativistic Electronic Structure Theory - Fundamentals,11
ISBN: 0444512497 ISBN-13(EAN): 9780444512499
Издательство: Elsevier Science
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Цена: 30388 р.
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Описание: Concerned with the fundamental aspects of relativistic quantum theory. This work deals with the developments in relativistic quantum electronic structure theory. It is of interest to graduate students in chemistry and physics as well as to researchers in the field of quantum chemistry.

The Electronic Structure and Chemistry of Solids

Автор: Cox, P.A. (Fellow of New College and Lecturer in I
Название: The Electronic Structure and Chemistry of Solids
ISBN: 0198552041 ISBN-13(EAN): 9780198552048
Издательство: Oxford Academ
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Цена: 5411 р.
Наличие на складе: Невозможна поставка.

Описание: Shows how the electronic structures and properties of solids can be described in terms familiar to chemists. This book contains topics such as metal-insulator transitions, low-dimensional solids and 'molecular metals', and the properties of surfaces. It is for undergraduate students with a reasonable grounding in inorganic and physical chemistry.

Computational Chemistry / Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Автор: Lewars Errol G.
Название: Computational Chemistry / Introduction to the Theory and Applications of Molecular and Quantum Mechanics
ISBN: 1402074220 ISBN-13(EAN): 9781402074226
Издательство: Springer
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Цена: 9345 р.
Наличие на складе: Поставка под заказ.

Описание: Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended HГјckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.

Computational Chemistry / Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Автор: Lewars Errol G.
Название: Computational Chemistry / Introduction to the Theory and Applications of Molecular and Quantum Mechanics
ISBN: 1402072856 ISBN-13(EAN): 9781402072857
Издательство: Springer
Рейтинг:
Цена: 17760 р.
Наличие на складе: Поставка под заказ.

Описание: Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended HГјckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.

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


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