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Using Computational Chemistry For The Design Synthesis And Understanding Of Semiconductors For Organic Electronics
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Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Computational Materials Discovery by : Artem Oganov
Download or read book Computational Materials Discovery written by Artem Oganov and published by Royal Society of Chemistry. This book was released on 2018-10-30 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
Book Synopsis Non-covalent Interactions in Quantum Chemistry and Physics by : Alberto Otero de la Roza
Download or read book Non-covalent Interactions in Quantum Chemistry and Physics written by Alberto Otero de la Roza and published by Elsevier. This book was released on 2017-06-15 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications. The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques. - Summarizes the state-of-the-art in the computational intermolecular interactions field in a comprehensive work - Introduces students and researchers from related fields to the topic of computational non-covalent interactions, providing a single unified source of information - Presents the theoretical foundations of current quantum mechanical methods alongside a collection of examples on how they can be applied to solve practical problems
Book Synopsis Organic Light Emitting Devices by : Klaus Müllen
Download or read book Organic Light Emitting Devices written by Klaus Müllen and published by John Wiley & Sons. This book was released on 2006-05-12 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: This high-class book reflects a decade of intense research, culminating in excellent successes over the last few years. The contributions from both academia as well as the industry leaders combine the fundamentals and latest research results with application know-how and examples of functioning displays. As a result, all the four important aspects of OLEDs are covered: - syntheses of the organic materials - physical theory of electroluminescence and device efficiency - device conception and construction - characterization of both materials and devices. The whole is naturally rounded off with a look at what the future holds in store. The editor, Klaus Muellen, is director of the highly prestigious MPI for polymer research in Mainz, Germany, while the authors include Nobel Laureate Alan Heeger, one of the most notable founders of the field, Richard Friend, as well as Ching Tang, Eastman Kodak's number-one OLED researcher, known throughout the entire community for his key publications.
Book Synopsis De novo Molecular Design by : Gisbert Schneider
Download or read book De novo Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2013-10-10 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.
Book Synopsis Electronic Structure of Organic Semiconductors by : Luís Alcácer
Download or read book Electronic Structure of Organic Semiconductors written by Luís Alcácer and published by Morgan & Claypool Publishers. This book was released on 2018-12-07 with total page 135 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written in the perspective of an experimental chemist, this book puts together some fundamentals from chemistry, solid state physics and quantum chemistry, to help with understanding and predicting the electronic and optical properties of organic semiconductors, both polymers and small molecules. The text is intended to assist graduate students and researchers in the field of organic electronics to use theory to design more efficient materials for organic electronic devices such as organic solar cells, light emitting diodes and field effect transistors. After addressing some basic topics in solid state physics, a comprehensive introduction to molecular orbitals and band theory leads to a description of computational methods based on Hartree-Fock and density functional theory (DFT), for predicting geometry conformations, frontier levels and energy band structures. Topological defects and transport and optical properties are then addressed, and one of the most commonly used transparent conducting polymers, PEDOT:PSS, is described in some detail as a case study.
Book Synopsis Large Area and Flexible Electronics by : Mario Caironi
Download or read book Large Area and Flexible Electronics written by Mario Caironi and published by John Wiley & Sons. This book was released on 2015-01-13 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: From materials to applications, this ready reference covers the entire value chain from fundamentals via processing right up to devices, presenting different approaches to large-area electronics, thus enabling readers to compare materials, properties and performance. Divided into two parts, the first focuses on the materials used for the electronic functionality, covering organic and inorganic semiconductors, including vacuum and solution-processed metal-oxide semiconductors, nanomembranes and nanocrystals, as well as conductors and insulators. The second part reviews the devices and applications of large-area electronics, including flexible and ultra-high-resolution displays, light-emitting transistors, organic and inorganic photovoltaics, large-area imagers and sensors, non-volatile memories and radio-frequency identification tags. With its academic and industrial viewpoints, this volume provides in-depth knowledge for experienced researchers while also serving as a first-stop resource for those entering the field.
Book Synopsis Handbook of Thiophene-Based Materials by : Igor F. Perepichka
Download or read book Handbook of Thiophene-Based Materials written by Igor F. Perepichka and published by John Wiley & Sons. This book was released on 2009-07-17 with total page 910 pages. Available in PDF, EPUB and Kindle. Book excerpt: This essential resource consists of a series of critical reviews written by leading scientists, summarising the progress in the field of conjugated thiophene materials. It is an application-oriented book, giving a chemists’ point of view on the state-of-art and perspectives of the field. While presenting a comprehensive coverage of thiophene-based materials and related applications, the aim is to show how the rational molecular design of materials can bring a new breadth to known device applications or even aid the development of novel application concepts. The main topics covered include synthetic methodologies to thiophene-based materials (including the chemistry of thiophene, preparation of oligomers and polymerisation approaches) and the structure and physical properties of oligo- and polythiophenes (discussion of structural effects on electronic and optical properties). Part of the book is devoted to the optical and semiconducting properties of conjugated thiophene materials for electronics and photonics, and the role of thiophene-based materials in nanotechnology.
Book Synopsis Organic Optoelectronic Materials by : Yongfang Li
Download or read book Organic Optoelectronic Materials written by Yongfang Li and published by Springer. This book was released on 2015-05-30 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume reviews the latest trends in organic optoelectronic materials. Each comprehensive chapter allows graduate students and newcomers to the field to grasp the basics, whilst also ensuring that they have the most up-to-date overview of the latest research. Topics include: organic conductors and semiconductors; conducting polymers and conjugated polymer semiconductors, as well as their applications in organic field-effect-transistors; organic light-emitting diodes; and organic photovoltaics and transparent conducting electrodes. The molecular structures, synthesis methods, physicochemical and optoelectronic properties of the organic optoelectronic materials are also introduced and described in detail. The authors also elucidate the structures and working mechanisms of organic optoelectronic devices and outline fundamental scientific problems and future research directions. This volume is invaluable to all those interested in organic optoelectronic materials.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Studies by : Ambrish Kumar Srivastava
Download or read book Computational Studies written by Ambrish Kumar Srivastava and published by CRC Press. This book was released on 2024-08-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 superatomic clusters including superalkalis and superhalogens. 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 superatomic 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.
Book Synopsis Organic Electronic Materials by : R. Farchioni
Download or read book Organic Electronic Materials written by R. Farchioni and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together selected contributions both on the fundamental information on the physics and chemistry of these materials, new physical ideas and decisive experiments. It constitutes both an insightful treatise and a handy reference for specialists and graduate students working in solid state physics and chemistry, material science and related fields.
Book Synopsis Organic Chemistry by : Graham Patrick
Download or read book Organic Chemistry written by Graham Patrick and published by Oxford University Press. This book was released on 2017-03-16 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic chemistry is the chemistry of compounds of carbon. The ability of carbon to link together to form long chain molecules and ring compounds as well as bonding with many other elements has led to a vast array of organic compounds. These compounds are central to life, forming the basis for organic molecules such as nucleic acids, proteins, carbohydrates, and lipids. In this Very Short Introduction Graham Patrick covers the whole range of organic compounds and their roles. Beginning with the structures and properties of the basic groups of organic compounds, he goes on to consider organic compounds in the areas of pharmaceuticals, polymers, food and drink, petrochemicals, and nanotechnology. He looks at how new materials, in particular the single layer form of carbon called graphene, are opening up exciting new possibilities for applications, and discusses the particular challenges of working with carbon compounds, many of which are colourless. Patrick also discusses techniques used in the field. ABOUT THE SERIES: The Very Short Introductions series from Oxford University Press contains hundreds of titles in almost every subject area. These pocket-sized books are the perfect way to get ahead in a new subject quickly. Our expert authors combine facts, analysis, perspective, new ideas, and enthusiasm to make interesting and challenging topics highly readable.
Book Synopsis Atomic Layer Deposition for Semiconductors by : Cheol Seong Hwang
Download or read book Atomic Layer Deposition for Semiconductors written by Cheol Seong Hwang and published by Springer Science & Business Media. This book was released on 2013-10-18 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offering thorough coverage of atomic layer deposition (ALD), this book moves from basic chemistry of ALD and modeling of processes to examine ALD in memory, logic devices and machines. Reviews history, operating principles and ALD processes for each device.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 946 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Chemistry by : David Young
Download or read book Computational Chemistry written by David Young and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.
Book Synopsis Quantum Chemistry in the Age of Machine Learning by : Pavlo O. Dral
Download or read book Quantum Chemistry in the Age of Machine Learning written by Pavlo O. Dral and published by Elsevier. This book was released on 2022-09-16 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. - Compiles advances of machine learning in quantum chemistry across different areas into a single resource - Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry - Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry
