Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems, Hyungjun Kim

Автор: Yoshitaka Umeno; Takahiro Shimada; Yusuke Kinoshit
Название: Multiphysics in Nanostructures
ISBN: 443156571X ISBN-13(EAN): 9784431565710
Издательство: Springer
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Цена: 121110.00 T
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Описание: This is the first book to systematically review and summarize the recent rapid advances and varied results of multiphysics in nanoscale materials including elastic strain engineering.

Автор: Pierre Deymier; Keith Runge; Krishna Muralidharan
Название: Multiscale Paradigms in Integrated Computational Materials Science and Engineering
ISBN: 3319343548 ISBN-13(EAN): 9783319343549
Издательство: Springer
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Цена: 104480.00 T
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Описание: This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges.

Автор: Martin Oliver Steinhauser
Название: Computational Multiscale Modeling of Fluids and Solids
ISBN: 3642094406 ISBN-13(EAN): 9783642094408
Издательство: Springer
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Цена: 130590.00 T
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Описание: Devastatingly simple, yet hugely effective, the concept of this timely text is to provide a comprehensive overview of computational physics methods and techniques used for materials modeling on different length and time scales.

Автор: Basudev Sahoo
Название: Visible Light Photocatalyzed Redox-Neutral Organic Reactions and Synthesis of Novel Metal-Organic Frameworks
ISBN: 3319483498 ISBN-13(EAN): 9783319483498
Издательство: Springer
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Цена: 111790.00 T
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Описание: This unique thesis discusses the development of conceptually novel and synthetically valuable methods that use visible light photocatalysis. Each chapter addresses a different topic in the emerging field of photocatalysis, which has become an indispensable tool for organic synthesis. Photocatalysis employs environmentally harmless and abundant visible light in the presence of a photosensitizer, and as such offers an attractive alternative to harmful UV light in photo-mediated reactions. This book introduces the novel concept of merging gold catalysis with visible light photocatalysis in a dual catalytic fashion, which demonstrates their compatibility with each other for first time and has inspired the development of various reactions. Moreover, a novel trifluoromethylation method, which combines radical addition chemistry with a polar rearrangement to synthesize valuable fluorinated compounds, is presented, since compounds featuring fluorinated functionality are the subject of increasing attention in pharmaceutical, agrochemical and material research. It also develops an external photocatalyst-free photochemical method for the synthesis of valuable indolizine heterocycles, where the product mediates its own formation. Lastly, it describes the synthesis and characterization of two novel highly porous metal-organic frameworks (MOFs). The comprehensive text is rounded out with illustrations and color figures.

Автор: Martin Schr?der
Название: Functional Metal-Organic Frameworks: Gas Storage, Separation and Catalysis
ISBN: 3642264883 ISBN-13(EAN): 9783642264887
Издательство: Springer
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Цена: 287330.00 T
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Описание: Cooper - Hydrogen, Methane and Carbon Dioxide Adsorption in Metal-Organic Framework MaterialsBy X. Schroder-Doping of Metal-Organic Frameworks with Functional Guest Molecules and NanoparticlesBy F. Fischer-Chiral Metal-Organic Porous Materials: Synthetic Strategies and Applications in ChiralSeparation and CatalysisBy K.

Автор: Guangshan Zhu; Hao Ren
Название: Porous Organic Frameworks
ISBN: 3662454556 ISBN-13(EAN): 9783662454558
Издательство: Springer
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Цена: 47880.00 T
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Описание: This book describes the design, synthesis, characterization and applications of porous organic frameworks (POFs). It also includes two chapters introducing the properties of POFs and defining the principles of synthesis, as well as a chapter dealing with post-modified POFs.

Автор: Banglin Chen; Guodong Qian
Название: Metal-Organic Frameworks for Photonics Applications
ISBN: 3642449662 ISBN-13(EAN): 9783642449666
Издательство: Springer
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Цена: 243800.00 T
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Описание: The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding.

Автор: Weinberger
Название: Multiscale Materials Modeling for Nanomechanics
ISBN: 3319334786 ISBN-13(EAN): 9783319334783
Издательство: Springer
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Цена: 116450.00 T
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Описание: This book presents a unique combination of chapters that togetherprovide a practical introduction to multiscale modeling applied to nanoscalematerials mechanics. The goal of this book is to present a balancedtreatment of both the theory of the methodology, as well as some practicalaspects of conducting the simulations and models. The first half of thebook covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale.Included in this set of methods are several different concurrent multiscalemethods for bridging time and length scales applicable to mechanics at the nanoscaleregime. The second half of the book presents a range of casestudies from a varied selection of research groups focusing either on a the applicationof multiscale modeling to a specific nanomaterial, or novel analysis techniquesaimed at exploring nanomechanics. Readers are also directed tohelpful sites and other resources throughout the book where the simulationcodes and methodologies discussed herein can be accessed. Emphasis on thepracticality of the detailed techniques is especially felt in the latter halfof the book, which is dedicated to specific examples to studynanomechanics and multiscale materials behavior. An instructive avenue forlearning how to effectively apply these simulation tools to solve nanomechanicsproblems is to study previous endeavors. Therefore, each chapter iswritten by a unique team of experts who have used multiscale materials modelingto solve a practical nanomechanics problem. These chapters provide an extensivepicture of the multiscale materials landscape from problem statement throughthe final results and outlook, providing readers with a roadmap forincorporating these techniques into their own research.

Автор: Barbara Kirchner; Jadran Vrabec
Название: Multiscale Molecular Methods in Applied Chemistry
ISBN: 3642270581 ISBN-13(EAN): 9783642270581
Издательство: Springer
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Цена: 304750.00 T
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Описание: First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Abrol, J. Pascal, J. di Dio and J. Luzar.-Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J.