Molecular Dynamics Simulations, Maria Emilova Velinova
Автор: Maria Emilova Velinova Название: Modelling of Molecular Properties: Theoretical Principles and Numerical Simulations ISBN: 1773615432 ISBN-13(EAN): 9781773615431 Издательство: Mare Nostrum (Eurospan) Рейтинг: Цена: 175560.00 T Наличие на складе: Невозможна поставка. Описание: Considers various aspects of modelling of molecular properties, including an extensive historical overview of theoretical principles and numerical simulations in modelling of molecular properties and related issues. The book includes definitions and explanations related to elements of quantum mechanics.
Автор: D. C. Rapaport Название: The Art of Molecular Dynamics Simulation ISBN: 0521825687 ISBN-13(EAN): 9780521825689 Издательство: Cambridge Academ Рейтинг: Цена: 115110.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. The second edition of this book, first published in 2004, includes a substantial amount of new material as well as completely rewritten software.
Автор: Dieter Bauer Название: Computational Strong-Field Quantum Dynamics: Intense Light-Matter Interactions ISBN: 3110417251 ISBN-13(EAN): 9783110417258 Издательство: Walter de Gruyter Рейтинг: Цена: 105310.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This graduate textbook introduces the com-putational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schrodinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach. Contents How to propagate a wavefunction? Calculation of typical strong-field observables Time-dependent relativistic wave equations: Numerics of the Dirac and the Klein-Gordon equation Time-dependent density functional theory The multiconfiguration time-dependent Hartree-Fock method Time-dependent configuration interaction singles Strong-field approximation and quantum orbits Microscopic particle-in-cell approach
Introduction to computer simulations in modern science.- Theoretical approaches for multiscale computer simulations.- Atomic clusters and nanoparticles.- Biomolecular systems.- Nanostructured materials.- Composite materials and hybrid molecular systems.- Crystals, liquids, gases.- Thermo-mechanical properties of materials and related phenomena.- Dynamical molecular processes and related phenomena.- Multiscale phenomena.- Emerging Technologies.- Future outlook.
Автор: David A. Micha; Irene Burghardt Название: Quantum Dynamics of Complex Molecular Systems ISBN: 364243617X ISBN-13(EAN): 9783642436178 Издательство: Springer Рейтинг: Цена: 148010.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis.
Автор: J. Broeckhove; L. Lathouwers Название: Time-Dependent Quantum Molecular Dynamics ISBN: 0306443058 ISBN-13(EAN): 9780306443053 Издательство: Springer Рейтинг: Цена: 231990.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Proceedings of a NATO ARW held in Snowbird, Utah, March 30-April 4, 1992
Автор: Jan Broeckhove; Luc Lathouwers; Piet van Leuven Название: Dynamics of Wave Packets in Molecular and Nuclear Physics ISBN: 3540167722 ISBN-13(EAN): 9783540167723 Издательство: Springer Рейтинг: Цена: 104480.00 T Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: Joachim Ullrich; V.P. Shevelko Название: Many-Particle Quantum Dynamics in Atomic and Molecular Fragmentation ISBN: 3642056261 ISBN-13(EAN): 9783642056260 Издательство: Springer Рейтинг: Цена: 217670.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This is the first comprehensive treatment of the interactions of atoms and molecules with charged particles, photons and laser fields. Addressing the subject from a unified viewpoint, the volume reflects our present understanding of many-particle dynamics in rearrangement and fragmentation reactions.
Автор: J.M. Bowman; M. Baer Название: Molecular Collision Dynamics ISBN: 3642819451 ISBN-13(EAN): 9783642819452 Издательство: Springer Рейтинг: Цена: 111790.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This monograph covers a broad spectrum of topics in the very broad field of gas phase molecular collision dynamics. In addition, a brief review of quantum reactive scattering is given there along with some gen- eral remarks which highlight the difficulties in doing quantum reactive scatter- ing calculations.
Автор: Y.G. Smeyers Название: Structure and Dynamics of Non-Rigid Molecular Systems ISBN: 9401044643 ISBN-13(EAN): 9789401044646 Издательство: Springer Рейтинг: Цена: 46570.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules.
Автор: J. Broeckhove; L. Lathouwers Название: Time-Dependent Quantum Molecular Dynamics ISBN: 1489923284 ISBN-13(EAN): 9781489923288 Издательство: Springer Рейтинг: Цена: 186330.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Proceedings of a NATO ARW held in Snowbird, Utah, March 30-April 4, 1992
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