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Molecular Modeling for the Design of Novel Performance Chemicals and Materials, 


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Цена: 9798.00р.
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При оформлении заказа до: 2025-07-28
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Название:  Molecular Modeling for the Design of Novel Performance Chemicals and Materials
ISBN: 9780367381578
Издательство: Taylor&Francis
Классификация:


ISBN-10: 0367381575
Обложка/Формат: Paperback
Страницы: 400
Вес: 0.74 кг.
Дата издания: 20.12.2019
Язык: English
Размер: 252 x 175 x 23
Читательская аудитория: Tertiary education (us: college)
Основная тема: Condensed Matter Physics
Ссылка на Издательство: Link
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Поставляется из: Европейский союз
Описание:

Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: How do I leverage these tools to develop novel materials or chemicals in my industry?





Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important question via a simple and practical approach to the MM paradigm. Using case studies, it highlights the importance and usability of MM tools and techniques in various industrial applications. The book presents detailed case studies demonstrating diverse applications such as mineral processing, pharmaceuticals, ceramics, energy storage, electronic materials, paints, coatings, agrochemicals, and personal care.



The book is divided into themed chapters covering a diverse range of industrial case studies, from pharmaceuticals to cement. While not going too in-depth into fundamental aspects, the book covers almost all paradigms of MM, and references are provided for further learning. The text includes more than 100 color illustrations of molecular models.




Modeling, Analysis and Optimization of Process and Energy Systems

Автор: F.Carl Knopf
Название: Modeling, Analysis and Optimization of Process and Energy Systems
ISBN: 0470624213 ISBN-13(EAN): 9780470624210
Издательство: Wiley
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Цена: 17733.00 р.
Наличие на складе: Поставка под заказ.

Описание: Energy costs impact the profitability of virtually all industrial processes.

Single-Molecule Magnets - Molecular Architectures and Building Blocks for Spintronics

Автор: Holynska
Название: Single-Molecule Magnets - Molecular Architectures and Building Blocks for Spintronics
ISBN: 3527343210 ISBN-13(EAN): 9783527343218
Издательство: Wiley
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Цена: 23594.00 р.
Наличие на складе: Поставка под заказ.

Описание:

Concise overview of synthesis and characterization of single molecule magnets

Molecular magnetism is explored as an alternative to conventional solid-state magnetism as the basis for ultrahigh-density memory materials with extremely fast processing speeds. In particular single-molecule magnets (SMM) are in the focus of current research, both because of their intrinsic magnetization properties, as well as because of their potential use in molecular spintronic devices. SMMs are fascinating objects on the example of which one can explain many concepts.

Single-Molecule Magnets: Molecular Architectures and Building Blocks for Spintronics starts with a general introduction to single-molecule magnets (SMM), which helps readers to understand the evolution of the field and its future. The following chapters deal with the current synthetic methods leading to SMMs, their magnetic properties and their characterization by methods such as high-field electron paramagnetic resonance, paramagnetic nuclear magnetic resonance, and magnetic circular dichroism. The book closes with an overview of radical-bridged SMMs, which have shown application potential as building blocks for high-density memories.

  • Covers a hot topic - single-molecule magnetism is one of the fastest growing research fields in inorganic chemistry and materials science
  • Provides researchers and newcomers to the field with a solid foundation for their further work

Single-Molecule Magnets: Molecular Architectures and Building Blocks for Spintronics will appeal to inorganic chemists, materials scientists, molecular physicists, and electronics engineers interested in the rapidly growing field of study.

Design, fabrication and electrochemical performance of nanostructured carbon based materials for high-energy lithium-sulfur batteries

Автор: Guangmin Zhou
Название: Design, fabrication and electrochemical performance of nanostructured carbon based materials for high-energy lithium-sulfur batteries
ISBN: 9811034052 ISBN-13(EAN): 9789811034053
Издательство: Springer
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Цена: 15372.00 р.
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Описание: demonstrates that the dissolution/diffusion of polysulfide anions in electrolyte can be greatly reduced by the strong binding of sulfur to the oxygen-containing groups on reduced graphene oxide; manifests that graphene foam can be used as a 3D current collector for high sulfur loading and high sulfur content cathodes;

Applying Molecular and Materials Modeling

Автор: Phillip R. Westmoreland; Peter A. Kollman; Anne M.
Название: Applying Molecular and Materials Modeling
ISBN: 9048161347 ISBN-13(EAN): 9789048161348
Издательство: Springer
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Цена: 33401.00 р.
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Описание: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries.

Hydrogen bonding research in photochemistry, photobiology, and optoelectronic materials

Название: Hydrogen bonding research in photochemistry, photobiology, and optoelectronic materials
ISBN: 1786346079 ISBN-13(EAN): 9781786346070
Издательство: World Scientific Publishing
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Цена: 23760.00 р.
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Описание: As one of the typical intermolecular interactions, hydrogen-bonding plays a significant role in molecular structure and function. When the hydrogen bond research system is connected with the photon, the hydrogen-bonding effect turns to an excited-state one influencing photochemistry, photobiology, and photophysics. Thus, the hydrogen bond in an excited state is a key topic for understanding the excited-state properties, especially for optoelectronic or luminescent materials.The approaches presented in this book include quantum chemical calculation, molecular dynamics simulation and ultrafast spectroscopy, which are strong tools to investigate the hydrogen bond. Unlike other existing titles, this book combines theoretical calculations and experiments to explore the nature of excited-state hydrogen bonds. By using these methods, more details and faster processes involved in excited-state dynamics of hydrogen bond are explored.This highly interdisciplinary book provides an overview of leading hydrogen bond research. It is essential reading for faculties and students in researching photochemistry, photobiology and photophysics, as well as novel optoelectronic materials, fluorescence probes and photocatalysts. It will also guide research beginners to getting a quick start within this field.

Uncertainty Quantification In Multiscale Materials Modeling

Автор: Wang, Yan
Название: Uncertainty Quantification In Multiscale Materials Modeling
ISBN: 0081029411 ISBN-13(EAN): 9780081029411
Издательство: Elsevier Science
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Цена: 47161.00 р.
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Описание:

Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.

Chemical Kinetics in Combustion and Reactive Flows: Modeling Tools and Applications

Автор: V. I. Naoumov, V. G. Krioukov, A. L. Abdullin, A.
Название: Chemical Kinetics in Combustion and Reactive Flows: Modeling Tools and Applications
ISBN: 1108427049 ISBN-13(EAN): 9781108427043
Издательство: Cambridge Academ
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Цена: 21226.00 р.
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Описание: Introduces advanced mathematical tools for the modeling, simulation, and analysis of chemical non-equilibrium phenomena in combustion and flows, following a detailed explanation of the basics of thermodynamics and chemical kinetics of reactive mixtures. Researchers, practitioners, lecturers, and graduate students will find this work valuable.

Computational Sciences

Автор: Ponnadurai Ramasami
Название: Computational Sciences
ISBN: 3110465361 ISBN-13(EAN): 9783110465365
Издательство: Walter de Gruyter
Цена: 22305.00 р.
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Описание:

Eleven carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2016) are featured in this edited book of proceedings. VCCS-2016, an annual meeting, was held online from 1st to 31st August 2016. The theme of the conference was "Computational Thinking for the Advancement of Society" and it matched the paradigm shift in the way we think. VCCS-2016 was attended by 100 participants from 20 countries. The chapters reflect a wide range of fundamental and applied research applying computational methods.


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