From Molecules To Materials
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Computational Studies
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Author : Ambrish Kumar Srivastava
language : en
Publisher:
Release Date : 2024-08
Computational Studies written by Ambrish Kumar Srivastava and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08 with Mathematics categories.
The book covers a diverse range of topics based on computational studies including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules including biologically relevant molecules and liquid crystals and various aspects of super atomic clusters including super alkalis and super halogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses super atomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Molecular Materials
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Author : Sanjay Malhotra
language : en
Publisher: CRC Press
Release Date : 2017-05-12
Molecular Materials written by Sanjay Malhotra and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-05-12 with Science categories.
The field of molecular materials research looks at the preparation and characterization of potentially useful materials with enhanced physical, chemical, and biomedical properties. Molecular Materials: Preparation, Characterization, and Applications discusses the cutting-edge interdisciplinary research in the area of advanced molecular-based materials. This book explores multiple aspects of molecular materials, including their synthesis and characterization, and gives information on their application in various fields.
Molecular Organic Materials
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Author : Jordi Fraxedas
language : en
Publisher: Cambridge University Press
Release Date : 2006-04-27
Molecular Organic Materials written by Jordi Fraxedas and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-04-27 with Science categories.
A useful introduction to the field of molecular organic materials for beginners and experienced chemists, physicists and material scientists.
Inspired By Biology
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Author : National Research Council
language : en
Publisher: National Academies Press
Release Date : 2008-07-17
Inspired By Biology written by National Research Council and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-17 with Science categories.
Scientists have long desired to create synthetic systems that function with the precision and efficiency of biological systems. Using new techniques, researchers are now uncovering principles that could allow the creation of synthetic materials that can perform tasks as precise as biological systems. To assess the current work and future promise of the biology-materials science intersection, the Department of Energy and the National Science Foundation asked the NRC to identify the most compelling questions and opportunities at this interface, suggest strategies to address them, and consider connections with national priorities such as healthcare and economic growth. This book presents a discussion of principles governing biomaterial design, a description of advanced materials for selected functions such as energy and national security, an assessment of biomolecular materials research tools, and an examination of infrastructure and resources for bridging biological and materials science.
From Molecules To Materials
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Author : Elena A. Rozhkova
language : en
Publisher: Springer
Release Date : 2015-04-06
From Molecules To Materials written by Elena A. Rozhkova and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-04-06 with Technology & Engineering categories.
This interdisciplinary book focuses on the various aspects transformation of the energy from sunlight into the chemical bonds of a fuel, known as the artificial photosynthesis, and addresses the emergent challenges connected with growing societal demands for clean and sustainable energy technologies. The editors assemble the research of world-recognized experts in the field of both molecular and materials artificial systems for energy production. Contributors cover the full scope of research on photosynthesis and related energy processes.
Carbon Rich Compounds
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Author : Michael M. Haley
language : en
Publisher: John Wiley & Sons
Release Date : 2006-05-12
Carbon Rich Compounds written by Michael M. Haley and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-05-12 with Science categories.
This is the only up-to-date book on the market to focus on the synthesis of these compounds in this particularly suitable way. A team of excellent international authors guarantees high-quality content, covering such topics as monodisperse carbon-rich oligomers, molecular electronic wires, polyaromatic hydrocarbons, nonconjugated small molecules, nanotubes, fullerenes, polyynes, macrocycles, dendrimers, phenylenes and diamondoid structures. The result is a must-have for everyone working in this expanding and interdisciplinary field, including organic and polymer chemists, materials scientists, and chemists working in industry.
Mesomolecules
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Author : D. Mendenhall
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Mesomolecules written by D. Mendenhall and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Technology & Engineering categories.
The title of this volume implies a progression of sorts from species of molecular size to a product described on the basis of continuum prop erties. The difference in approach from the standpoint of molecular be havior, on the one hand-more the forte of chemists-and from the standpoint of large-scale properties, on the other-more the province of chemical engineers and materials scientists-represents a severe cultural divide, but one with much potential for creative input from both sides. Chapter 1 of this volume attempts a broad survey of trends toward the synthesis of large, well-defined molecular systems with interesting physical, chemical, or material properties. Review articles with more de tailed treatments are emphasized. In Chapter 2, Newkome and Moore field summarize work on synthesis of /I cascade" molecules. Next, Denti, Campagna, and Balzani describe the synthesis of assemblies with con nected metal-containing chromophore units which transmit electrons or electronic energy in defined ways. In Chapter 4 Wuest describes the con struction of hydrogen-bonded organic networks, and in Chapter 5 Michl defines a molecular-level construction set. Finally, Jaszczak points out how nature's attempts over geological time spans are emulated by recent human synthetic activity in the fullerene arena, through the appearance of various morphologies of natural graphite. The book concludes with a method for describing fractal-like mole cules, and an index based on the method for appropriate compounds described in the text.
Understanding Properties Of Atoms Molecules And Materials
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Author : Pranab Sarkar
language : en
Publisher: CRC Press
Release Date : 2022-02-18
Understanding Properties Of Atoms Molecules And Materials written by Pranab Sarkar and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-18 with Science categories.
In a technology driven civilization the quest for new and smarter materials is everlasting. They are required as platforms for developing new technologies or for improving an already existing technology. The discovery of a new material is no longer chance driven or accidental, but is based on careful reasoning structured by deep understanding of the microconstituents of materials - the atoms and molecules in isolation or in an assembly. That requires fair amount of exposure to quantum and statistical mechanics. `Understanding Properties of Atoms, Molecules and Materials' is an effort (perhaps the first ever) to bring all the necessary theoretical ingredients and relevant physical information in a single volume. The book introduces the readers (first year graduates) or researchers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids and then goes on to make them acquainted with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts are introduced with clarity and illustrated with easy to grasp examples, thus preparing the readers for an exploration through the world of materials - the exotic and the mundane. The emphasis has been on the phenomena and what shapes them at the fundamental level. A comprehensive description of modern designing principles for materials with examples is a unique feature of the book. The highlights of the book are comprehensive introduction and analysis of Quantum states of atoms and molecules The translational symmetry and quantum states in periodic and amorphous solids Band structure and tuning Classical and quantum statistics with applications to ideal gases (photons, phonons and electrons, molecules) Quantum states in type-I and type-II superconductors (elementary theory included) Magnetic materials, materials with GMR and CMR Shape memory effects in alloys and materials 2D materials (graphene and graphene analogus) NLO and photovoltaic materials Hydrogen storage material for mitigating the looming energy crisis Quantum states in low and high band gap semiconductors Semimetals Designer materials, etc. The volume is designed and organized to create interest in the science of materials and the silent revolution that is redefining the goals and boundaries of materials science continuously.
Naphthalenediimide And Its Congeners
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Author : G Dan Pantos
language : en
Publisher: Royal Society of Chemistry
Release Date : 2017-03-20
Naphthalenediimide And Its Congeners written by G Dan Pantos and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-20 with Science categories.
The past decade has seen significant advances in naphthalenediimide and rylene diimide chemistry. This book discusses the recent advances in this field, and highlights potential and real applications for the molecules. Such applications include organic photovoltaics, anion-slides, DNA binders, and building blocks for complex molecular topologies. Naphthalenediimide and its Congeners is the first book in this rapidly developing area, and will be essential reference material for postdoctoral researchers and postgraduate students. This text will also provide a solid foundation for further development of naphthalenediimide chemistry. Written by leaders in the field, the book includes chapters on the supramolecular chemistry of naphthalenediimide; DNA intercalators; ion transport through membranes; naphthalenediimide based photovoltaics; and rylene dyes, amongst others. Naphthalenediimide and its Congeners is a detailed and in depth resource relevant not only to supramolecular and materials chemists, but also to the larger chemistry and materials science fields.
Magnetism
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Author : Joel S. Miller
language : en
Publisher: John Wiley & Sons
Release Date : 2006-03-06
Magnetism written by Joel S. Miller and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-03-06 with Science categories.
Combining the contemporary knowledge from widely scattered sources, this is a much-needed and comprehensive overview of the field. In maintaining a balance between theory and experiment, the book guides both advanced students and specialists to this research area. Topical reviews written by the foremost scientists explain recent trends and advances, focusing on the correlations between electronic structure and magnetic properties. The book spans recent trends in magnetism for molecules -- as well as inorganic-based materials, with an emphasis on new phenomena being explored from both experimental and theoretical viewpoints with the aim of understanding magnetism on the atomic scale. The volume helps readers evaluate their own experimental observations and serves as a basis for the design of new magnetic materials. Topics covered include: * Metallocenium Salts of Radical Anion Bis-(dichalcogenate) metalates * Chiral Molecule-Based Magnets * Cooperative Magnetic Behavior in Metal-Dicyanamide Complexes * Lanthanide Ions in Molecular Exchange Coupled Systems * Monte Carlo Simulation * Metallocene-Based Magnets * Magnetic Nanoporous Molecular Materials A unique reference work, indispensable for everyone concerned with the phenomena of magnetism.