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Theoretical and Computational Aspects of Magnetic Organic Mo, Datta Sambhu N


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Цена: 16474.00р.
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При оформлении заказа до: 2025-08-04
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Автор: Datta Sambhu N
Название:  Theoretical and Computational Aspects of Magnetic Organic Mo
ISBN: 9781908977212
Издательство: World Scientific Publishing
Классификация:


ISBN-10: 1908977213
Обложка/Формат: Hardback
Страницы: 348
Вес: 0.67 кг.
Дата издания: 19.02.2014
Серия: Chemistry
Язык: English
Иллюстрации: Illustrations
Размер: 158 x 230 x 20
Читательская аудитория: Postgraduate, research & scholarly
Ключевые слова: Quantum & theoretical chemistry, SCIENCE / Chemistry / Computational & Molecular Modeling,SCIENCE / Chemistry / Organic,SCIENCE / Chemistry / Physical & Theoretical
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Поставляется из: Англии
Описание: Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances.The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.


Nonlinear Hyperbolic Problems: Theoretical, Applied, and Computational Aspects

Автор: Andrea Donato; Francesco Oliveri
Название: Nonlinear Hyperbolic Problems: Theoretical, Applied, and Computational Aspects
ISBN: 3528076437 ISBN-13(EAN): 9783528076436
Издательство: Springer
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Цена: 18167.00 р.
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Описание: Contains a collection of papers presented at a conference on nonlinear hyperbolic problems held in Taormina, Italy from 3-8 April, 1992. The papers deal with different mathematical techniques of relevant interest to current research in nonlinear wave propagation.

Computational Organic 2e

Автор: Bachrach SM
Название: Computational Organic 2e
ISBN: 1118291921 ISBN-13(EAN): 9781118291924
Издательство: Wiley
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Цена: 17099.00 р.
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Описание: Building upon and updating the successful first edition, the second edition of Computational Organic Chemistry introduces computational modeling methods used as standard tools by organic chemists for searching, rationalizing, and predicting structure and reactivity of organic molecules.

The Finite Volume Method in Computational Fluid Dynamics : An Advanced Introduction with OpenFOAM and MATLAB

Автор: Darwish, M. Mangani, L. Moukalled, F.
Название: The Finite Volume Method in Computational Fluid Dynamics : An Advanced Introduction with OpenFOAM and MATLAB
ISBN: 3319168738 ISBN-13(EAN): 9783319168739
Издательство: Springer
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Цена: 15372.00 р.
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Описание: The Finite Volume Method in Computational Fluid Dynamics

Theoretical Aspects of Transition Metal Catalysis

Автор: Gernot Frenking
Название: Theoretical Aspects of Transition Metal Catalysis
ISBN: 3642062512 ISBN-13(EAN): 9783642062513
Издательство: Springer
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Цена: 43100.00 р.
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Описание: Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds.

Computational Fluid Dynamics,

Автор: Jiyuan Tu
Название: Computational Fluid Dynamics,
ISBN: 0080982433 ISBN-13(EAN): 9780080982434
Издательство: Elsevier Science
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Цена: 11053.00 р.
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Описание: Combining an appropriate level of mathematical background, and computer screen shots, this book walks the reader through modeling and computing, as well as interpreting CFD results. It offers an additional coverage of high-pressure fluid dynamics and meshless approach to provide an overview of the application areas where CFD can be used.

New Aspects of Zirconium Containing Organic Compounds

Автор: Ilan Marek
Название: New Aspects of Zirconium Containing Organic Compounds
ISBN: 3642424155 ISBN-13(EAN): 9783642424151
Издательство: Springer
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Цена: 30039.00 р.
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Описание: S.A. Cummings, J.A. Tunge and J. R. Norton: Synthesis and Reactivity of Zirconaaziridines.- M. Mori: Synthesis and Reactivity of Zirconium-Silene Complexes.- A. Lisovskii, M.S. Eisen: Octahedral Zirconium Complexes as Polymerization Catalysts.- J. Szymoniak, P. Bertus: Zirconocene Complexes as New Reagents for the Synthesis of Cyclopropanes.- N. Chinkov, I. Marek: Stereoselective Synthesis of Dienyl Zirconocene Complexes

Theoretical Computational Dynamics

Автор: Pai
Название: Theoretical Computational Dynamics
ISBN: 0442303106 ISBN-13(EAN): 9780442303105
Издательство: Taylor&Francis
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Цена: 42874.00 р.
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Описание: This book gives an introduction to the theoretical and computational fluid dynamics of a compressible fluid. It focuses on the basic assumptions and the formulation of the theory of compressible flow as well as on the methods of solving problems.

Frontiers in Computational Chemistry

Автор: Zaheer Ul-Haq
Название: Frontiers in Computational Chemistry
ISBN: 1608059790 ISBN-13(EAN): 9781608059799
Издательство: Elsevier Science
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Цена: 19201.00 р.
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Описание:

"Frontiers in Computational Chemistry," originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more.
Brings together a wide range of research into a single collection to help researchers keep up with new methodsUniquely focuses on computational chemistry approaches that can accelerate drug designMakes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics

Frontiers in Computational Chemistry vol 1

Автор: Zaheer Ul-Haq
Название: Frontiers in Computational Chemistry vol 1
ISBN: 1608058654 ISBN-13(EAN): 9781608058655
Издательство: Elsevier Science
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Цена: 19201.00 р.
Наличие на складе: Поставка под заказ.

Описание: Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more.


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