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Classical and Quantum Molecular Dynamics in NMR Spectra, S?awomir Szyma?ski; Piotr Bernatowicz


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Автор: S?awomir Szyma?ski; Piotr Bernatowicz
Название:  Classical and Quantum Molecular Dynamics in NMR Spectra
ISBN: 9783030080983
Издательство: Springer
Классификация:



ISBN-10: 3030080986
Обложка/Формат: Soft cover
Страницы: 402
Вес: 0.85 кг.
Дата издания: 2018
Язык: English
Издание: Softcover reprint of
Иллюстрации: 21 illustrations, color; 103 illustrations, black and white; xi, 402 p. 124 illus., 21 illus. in color.
Размер: Book (Paperback Initiative)
Читательская аудитория: Professional & vocational
Основная тема: Physics
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание: The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamicsNMR-observable molecular phenomena where quantization of the spatial nuclear degrees of freedom is crucial are addressed in the last part of the book. As an introduction to this exciting research field, selected aspects of the quantum mechanics of isolated systems undergoing rotational tunnelling are reviewed, together with some basic information about quantum systems interacting with their condensed environment. The quantum theory of rate processes evidenced in the NMR lineshapes of molecular rotors is presented, and illustrated with appropriate experimental examples from both solid- and liquid-phase spectra. In this context, the everlasting problem of the quantum-to-classical transition is discussed at a quantitative level. The book will be suitable for graduate students and new and practising researchers using NMR techniques.
Дополнительное описание: 1 Introduction.- 2 Principles of NMR spectroscopy.- 3 NMR Spectroscopy and Molecular Dynamics - an Outlook.- 4 Nuclear spin relaxation effects in NMR spectra.- 5 Discrete Molecular Dynamics and NMR Line Shape Effects. Intramolecular Exchange.- 6 Discrete



Geometry from Dynamics, Classical and Quantum

Автор: Jos? F. Cari?ena; Alberto Ibort; Giuseppe Marmo; G
Название: Geometry from Dynamics, Classical and Quantum
ISBN: 9401792194 ISBN-13(EAN): 9789401792196
Издательство: Springer
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Цена: 15372.00 р.
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Описание: This book describes, by using elementary techniques, how some geometrical structures widely used today in many areas of physics, like symplectic, Poisson, Lagrangian, Hermitian, etc., emerge from dynamics.

Molecular Quantum Dynamics

Автор: Fabien Gatti
Название: Molecular Quantum Dynamics
ISBN: 3662512262 ISBN-13(EAN): 9783662512265
Издательство: Springer
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Цена: 14365.00 р.
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Описание: Emphasizing fundamental educational concepts, this book offers an accessible introduction that covers eigenstates, wave packets, quantum mechanical resonances and more. Examples show that high-level experiments and theory must work closely together.

Molecular Dynamics Simulations of Disordered Materials

Автор: Carlo Massobrio; Jincheng Du; Marco Bernasconi; Ph
Название: Molecular Dynamics Simulations of Disordered Materials
ISBN: 3319375156 ISBN-13(EAN): 9783319375151
Издательство: Springer
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Цена: 20896.00 р.
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Описание: This book is a unique reference work in the area of atomic-scale simulation of glasses. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials.

Nonlinear Waves: Theory, Computer Simulation, Experiment

Автор: M.D. Todorov
Название: Nonlinear Waves: Theory, Computer Simulation, Experiment
ISBN: 1643270443 ISBN-13(EAN): 9781643270449
Издательство: Mare Nostrum (Eurospan)
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Цена: 11504.00 р.
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Описание: The Boussinesq equation is the first model of surface waves in shallow water that considers the nonlinearity and the dispersion and their interaction as a reason for wave stability known as the Boussinesq paradigm. This balance bears solitary waves that behave like quasi-particles. At present, there are some Boussinesq-like equations. The prevalent part of the known analytical and numerical solutions, however, relates to the 1d case while for multidimensional cases, almost nothing is known so far. An exclusion is the solutions of the Kadomtsev-Petviashvili equation. The difficulties originate from the lack of known analytic initial conditions and the nonintegrability in the multidimensional case. Another problem is which kind of nonlinearity will keep the temporal stability of localized solutions.The system of coupled nonlinear Schroedinger equations known as well as the vector Schroedinger equation is a soliton supporting dynamical system. It is considered as a model of light propagation in Kerr isotropic media. Along with that, the phenomenology of the equation opens a prospect of investigating the quasi-particle behavior of the interacting solitons. The initial polarization of the vector Schroedinger equation and its evolution evolves from the vector nature of the model. The existence of exact (analytical) solutions usually is rendered to simpler models, while for the vector Schroedinger equation such solutions are not known. This determines the role of the numerical schemes and approaches. The vector Schroedinger equation is a spring-board for combining the reduced integrability and conservation laws in a discrete level.The experimental observation and measurement of ultrashort pulses in waveguides is a hard job and this is the reason and stimulus to create mathematical models for computer simulations, as well as reliable algorithms for treating the governing equations. Along with the nonintegrability, one more problem appears here - the multidimensionality and necessity to split and linearize the operators in the appropriate way.

Nonlinear Waves: Theory, Computer Simulation, Experiment

Автор: M.D. Todorov
Название: Nonlinear Waves: Theory, Computer Simulation, Experiment
ISBN: 1643270486 ISBN-13(EAN): 9781643270487
Издательство: Mare Nostrum (Eurospan)
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Цена: 14692.00 р.
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Описание: The Boussinesq equation is the first model of surface waves in shallow water that considers the nonlinearity and the dispersion and their interaction as a reason for wave stability known as the Boussinesq paradigm. This balance bears solitary waves that behave like quasi-particles. At present, there are some Boussinesq-like equations. The prevalent part of the known analytical and numerical solutions, however, relates to the 1d case while for multidimensional cases, almost nothing is known so far. An exclusion is the solutions of the Kadomtsev-Petviashvili equation. The difficulties originate from the lack of known analytic initial conditions and the nonintegrability in the multidimensional case. Another problem is which kind of nonlinearity will keep the temporal stability of localized solutions.The system of coupled nonlinear Schroedinger equations known as well as the vector Schroedinger equation is a soliton supporting dynamical system. It is considered as a model of light propagation in Kerr isotropic media. Along with that, the phenomenology of the equation opens a prospect of investigating the quasi-particle behavior of the interacting solitons. The initial polarization of the vector Schroedinger equation and its evolution evolves from the vector nature of the model. The existence of exact (analytical) solutions usually is rendered to simpler models, while for the vector Schroedinger equation such solutions are not known. This determines the role of the numerical schemes and approaches. The vector Schroedinger equation is a spring-board for combining the reduced integrability and conservation laws in a discrete level.The experimental observation and measurement of ultrashort pulses in waveguides is a hard job and this is the reason and stimulus to create mathematical models for computer simulations, as well as reliable algorithms for treating the governing equations. Along with the nonintegrability, one more problem appears here - the multidimensionality and necessity to split and linearize the operators in the appropriate way.

Classical Relativistic Many-Body Dynamics

Автор: M.A. Trump; W.C. Schieve
Название: Classical Relativistic Many-Body Dynamics
ISBN: 9048152321 ISBN-13(EAN): 9789048152322
Издательство: Springer
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Цена: 32144.00 р.
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Описание: The most important feature of the theory is probably the use of an invariant world time parameter, usually denoted T, which provides an evolution time for the system in such as way as to allow manifest co- variance within a Hamiltonian formalism.

Molecular Spectroscopy And Quantum Dynamics

Автор: Marquardt, Roberto
Название: Molecular Spectroscopy And Quantum Dynamics
ISBN: 0128172347 ISBN-13(EAN): 9780128172346
Издательство: Elsevier Science
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Цена: 10610.00 р.
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Описание:

Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field.

From Classical to Quantum Fields

Автор: Baulieu, Laurent; Iliopoulos, John; Seneor, Roland
Название: From Classical to Quantum Fields
ISBN: 0198788401 ISBN-13(EAN): 9780198788409
Издательство: Oxford Academ
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Цена: 11088.00 р.
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Описание: Quantum Field Theory has become the universal language of most modern theoretical physics. This introductory textbook shows how this beautiful theory offers the correct mathematical framework to describe and understand the fundamental interactions of elementary particles.

Jet Spectroscopy and Molecular Dynamics

Автор: J.M. Hollas; D. Phillips
Название: Jet Spectroscopy and Molecular Dynamics
ISBN: 0751400351 ISBN-13(EAN): 9780751400359
Издательство: Springer
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Цена: 40389.00 р.
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Описание: Recent years have seen an explosion in the volume of work carried out using supersonic jets of molecules following the discovery that the technique could provide information on structure and dynamics of a very high quality otherwise impossible to obtain.

Numerical Simulation in Molecular Dynamics

Автор: Michael Griebel; Stephan Knapek; Gerhard Zumbusch
Название: Numerical Simulation in Molecular Dynamics
ISBN: 3642087760 ISBN-13(EAN): 9783642087769
Издательство: Springer
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Цена: 9083.00 р.
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Описание: This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique.

Molecular Dynamics Simulations

Автор: Fumiko Yonezawa
Название: Molecular Dynamics Simulations
ISBN: 3642847153 ISBN-13(EAN): 9783642847158
Издательство: Springer
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Цена: 16769.00 р.
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Описание: Our theme, molecular dynamics (MD) simulations, certainly fulfills this requirement, be- cause the field is developing at a remarkable pace and its future is considered almost boundless. For almost 35 years since then, MD methods, together with Monte Carlo methods, have played major parts in the drama of computer simulations.

Geometry from Dynamics, Classical and Quantum

Автор: Jos? F. Cari?ena; Alberto Ibort; Giuseppe Marmo; G
Название: Geometry from Dynamics, Classical and Quantum
ISBN: 9402401547 ISBN-13(EAN): 9789402401547
Издательство: Springer
Рейтинг:
Цена: 15672.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: This book describes, by using elementary techniques, how some geometrical structures widely used today in many areas of physics, like symplectic, Poisson, Lagrangian, Hermitian, etc., emerge from dynamics.


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