Описание: Much of chemistry is motivated by asking `How`? How do I make a primary alcohol? React a Grignard reagent with formaldehyde. Physical chemistry is motivated by asking `Why`? The Grignard reagent and formaldehyde follow a molecular dance known as a reaction mechanism in which stronger bonds are made at the expense of weaker bonds.
Автор: Taku Onishi Название: Quantum Computational Chemistry ISBN: 9811059322 ISBN-13(EAN): 9789811059322 Издательство: Springer Рейтинг: Цена: 18294.00 р. Наличие на складе: Нет в наличии.
Описание:
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.
Автор: Joshua Jortner; R.D. Levine; A. Pullman Название: Reaction Dynamics in Clusters and Condensed Phases ISBN: 0792325826 ISBN-13(EAN): 9780792325826 Издательство: Springer Рейтинг: Цена: 43314.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Addressing the main topic of reaction dynamics in clusters and condensed phases, this volume includes coverage of: microscopic and macroscopic solvation phenomena; cluster and bulk spectroscopy photodissociation and vibrational predissociation; cage effects; and interphase dynamics.
Автор: Joshua Jortner; R.D. Levine; A. Pullman Название: Reaction Dynamics in Clusters and Condensed Phases ISBN: 940104337X ISBN-13(EAN): 9789401043373 Издательство: Springer Рейтинг: Цена: 36589.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the 26th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, May 17--20, 1993
Название: Metallic Systems ISBN: 1138112097 ISBN-13(EAN): 9781138112094 Издательство: Taylor&Francis Рейтинг: Цена: 12095.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Metallic systems are ubiquitous in daily life. They play key roles, for example, in the chemistry of many biomolecules, ionic solutions, nanoparticles, and catalytic processes. They may be in solid, liquid, or gaseous form. The interactions of other molecules with metal surfaces are of considerable importance. Each of these topics is addressed in Metallic Systems. As we have entered the age where theoretical approaches are sufficiently mature to complement and guide experiments in many areas, an understanding of the theoretical tools and approaches to studying metallic systems is essential. Metallic Systems is concerned with enhancing our understanding of the diverse chemistry of metals and metal-containing systems and the applicability of modern quantum chemistry methodologies to study them.
Metallic Systems presents brief overviews of most of the popular approaches to quantum chemical treatments and computations of chemical systems that include metals. Attention is given to the potentialities and limitations of first principles Density Functional Theory and dynamics methods (e.g. QM/MM approaches). The book emphasizes the importance of using methods that take into account crucial physical features such as explicit solvation, temperature and dynamics of metal-containing systems. It emphasizes first principles calculations in providing reliable and detailed information concerning electronic structures, mechanisms, and reaction energetics.
Accessible to newcomers to the field, Metallic Systems overviews theory underpinning current methodologies. It presents a practical set of modalities for studying metallic systems, assesses current technological barriers, and examines future challenges and topics of exploration.
Автор: Efthimios Kaxiras, John D. Joannopoulos Название: Quantum Theory of Materials ISBN: 0521117119 ISBN-13(EAN): 9780521117111 Издательство: Cambridge Academ Рейтинг: Цена: 9029.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This accessible new text introduces the theoretical concepts and tools essential for graduate courses on the physics of materials. A range of traditional and modern topics are covered, with applications, exercises, color illustrations, online slides and solutions for instructors, and appendices reviewing fundamental physics and mathematical tools.
Автор: Bhadeshia, Harshad K. D. H. (university Of Cambridge, U.k.) Название: Geometry of crystals, polycrystals, and phase transformations ISBN: 1138070785 ISBN-13(EAN): 9781138070783 Издательство: Taylor&Francis Рейтинг: Цена: 5016.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The first part covers basics of crystallography for general readers in various fields. The second part is aimed at researchers and discusses phase transformations, deformations and interface crystallography in depth. It contains worked examples and deals with crystals, aggregates of crystals and solid-state transformations between crystals.
Автор: S.D. Schwartz Название: Theoretical Methods in Condensed Phase Chemistry ISBN: 1402004109 ISBN-13(EAN): 9781402004100 Издательство: Springer Рейтинг: Цена: 12537.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Presents some of the advances in the theory of chemical processes in the condensed phase. This book studies various approaches and applications, ranging from classical mechanics to quantum mechanics, encompassing a range of systems from atom transfer reactions in simple fluids to charge transfer in water to biological systems.
Описание: Hydrogen bonds represent type of molecular interaction that determines the structure and function of a large variety of molecular systems.
Автор: Tormod Riste; David Sherrington Название: Phase Transitions in Soft Condensed Matter ISBN: 1461278627 ISBN-13(EAN): 9781461278627 Издательство: Springer Рейтинг: Цена: 10610.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of a NATO ASI held in Geilo, Norway, April 4-14, 1989
Автор: Gengxiang Hu, Xun Cai, Yonghua Rong Название: Phase Transformation and Properties ISBN: 3110495155 ISBN-13(EAN): 9783110495157 Издательство: Walter de Gruyter Рейтинг: Цена: 13937.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
This textbook illustrates one-component phase diagrams, binary equilibrium phase diagrams and ternary phase diagrams for ceramics, polymers and alloys by presenting case studies on preparation processes, and provides up-to-date information on nano-crystal materials, non-crystal materials and functional materials. As second volume in the set, it is an extension of the first volume on physical aspect of materials.
What is "topological" about topological quantum states? How many types of topological quantum phases are there? What is a zero-energy Majorana mode, how can it be realized in a solid state system, and how can it be used as a platform for topological quantum computation? What is quantum computation and what makes it different from classical computation?
Addressing these and other related questions, Introduction to Topological Quantum Matter & Quantum Computation provides an introduction to and a synthesis of a fascinating and rapidly expanding research field emerging at the crossroads of condensed matter physics, mathematics, and computer science. Providing the big picture, this book is ideal for graduate students and researchers entering this field as it allows for the fruitful transfer of paradigms and ideas amongst different areas, and includes many specific examples to help the reader understand abstract and sometimes challenging concepts. It explores the topological quantum world beyond the well-known topological insulators and superconductors and emphasizes the deep connections with quantum computation. It addresses key principles behind the classification of topological quantum phases and relevant mathematical concepts and discusses models of interacting and noninteracting topological systems, such as the torric code and the p-wave superconductor. The book also covers the basic properties of anyons, and aspects concerning the realization of topological states in solid state structures and cold atom systems.
Quantum computation is also presented using a broad perspective, which includes fundamental aspects of quantum mechanics, such as Bell's theorem, basic concepts in the theory of computation, such as computational models and computational complexity, examples of quantum algorithms, and elements of classical and quantum information theory.
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