Download or read book Quantum Chemistry Aided Design Of Organic Polymers An Introduction To The Quantum Chemistry Of Polymers And Its Applications written by Jean-marie Andre and published by World Scientific. This book was released on 1991-01-25 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended for those who are interested in understanding the electronic structure and properties of polymers. The scope of the book is to provide the non-specialist reader with a comprehensive and unified description: (i) of quantum mechanical methods, mainly originating from quantum chemistry, to calculate the electronic properties of polymers, (ii) of their use for interpreting and predicting results in fields where the electronic structure is playing an important role, like the electrical conductivity and the non linear optical properties of conjugated polymers.It will also serve as a reference book to lecture graduate students on the electronic structure of polymers or more generally of quasi-one dimensional materials. In this framework, it is worth stressing that the quantum theory of polymers bridges the gap between chemistry and physics. Since no book of this kind involving a strong interaction between theoretical and experimental concepts is available at the moment, it will also meet a need for a timely monograph in a field of important and fast growing interest.
Download or read book Quantum Chemistry Aided Design of Organic Polymers written by Jean-Marie Andr and published by World Scientific. This book was released on 1991 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended for those who are interested in understanding the electronic structure and properties of polymers. The scope of the book is to provide the non-specialist reader with a comprehensive and unified description: (i) of quantum mechanical methods, mainly originating from quantum chemistry, to calculate the electronic properties of polymers, (ii) of their use for interpreting and predicting results in fields where the electronic structure is playing an important role, like the electrical conductivity and the non linear optical properties of conjugated polymers.It will also serve as a reference book to lecture graduate students on the electronic structure of polymers or more generally of quasi-one dimensional materials. In this framework, it is worth stressing that the quantum theory of polymers bridges the gap between chemistry and physics. Since no book of this kind involving a strong interaction between theoretical and experimental concepts is available at the moment, it will also meet a need for a timely monograph in a field of important and fast growing interest.
Download or read book Quantum Chemical Approach for Organic Ferromagnetic Material Design written by Yuriko Aoki and published by Springer. This book was released on 2016-12-20 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors’ approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
Download or read book Computational Modeling of Polymers written by Jozef Bicerano and published by CRC Press. This book was released on 1992-03-17 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantum Chemistry written by Tamás Veszprémi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: `Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.
Download or read book Quantum Chemistry of Polymers Solid State Aspects written by J. Ladik and published by . This book was released on 1984-03-31 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantum Dynamics written by Eric R. Bittner and published by CRC Press. This book was released on 2009-07-21 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses and are poorly covered in standard texts. Quantum Dynamics: Applications in Biological and Materials Systems bridges the gap between what is traditionally taught in a one-semester quantum chemistr
Download or read book Ideas of Quantum Chemistry written by Lucjan Piela and published by Elsevier. This book was released on 2013-11-21 with total page 1272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book. Presents the widest range of quantum chemical problems covered in one book Unique structure allows material to be tailored to the specific needs of the reader Informal language facilitates the understanding of difficult topics
Download or read book Reviews in Computational Chemistry Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book Organic Solar Cells written by Barry P. Rand and published by CRC Press. This book was released on 2014-08-26 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic photovoltaic (OPV) cells have the potential to make a significant contribution to the increasing energy needs of the future. In this book, 15 chapters written by selected experts explore the required characteristics of components present in an OPV device, such as transparent electrodes, electron- and hole-conducting layers, as well as electron donor and acceptor materials. Design, preparation, and evaluation of these materials targeting highest performance are discussed. This includes contributions on modeling down to the molecular level to device-level electrical and optical testing and modeling, as well as layer morphology control and characterization. The integration of the different components in device architectures suitable for mass production is described. Finally, the technical feasibility and economic viability of large-scale manufacturing using fast inexpensive roll-to-roll deposition technologies is assessed.
Download or read book Organic Materials for Photonics written by G. Zerbi and published by Elsevier. This book was released on 2013-10-22 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyconjugated organic materials are revealing amorphous electrical and non-linear optical properties; this fact is opening up a whole new field of Materials Science aimed at the development of new technologies. For many years inorganic materials were studied mostly for non-linear optical properties. When organic molecules began to show larger and faster responses, both physical chemists and organic chemists became involved in understanding the physical phenomena at a molecular level, with the hope of synthesizing new and better molecular systems. The non-linear optical responses of this class of organic materials are presently attracting considerable attention as an active field of research both in academic and industrial laboratories. Due to the variety of problems and techniques involved, students and beginners with different backgrounds who approach polyconjugated materials do not find it an easy field to enter. This book introduces in a comprehensive and tutorial way the necessary concepts and relevant references which will help the reader to grasp the fundamental concepts of polyconjugated organic materials and perceive the relations between them.
Download or read book Concepts of Mathematical Physics in Chemistry A Tribute to Frank E Harris Part A written by and published by Academic Press. This book was released on 2015-08-06 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents a series of articles concerning current important topics in quantum chemistry. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology Features detailed reviews written by leading international researchers
Download or read book Photonic Polymer Systems written by Donald L. Wise and published by CRC Press. This book was released on 1998-07-10 with total page 968 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Furnishes the necessary background information, methods of characterization, and applications of optic and photonic systems based on polymers. Provides detailed tutorial chapters that offer in-depth explanations of optic and photonic fundamentals and synthesis techniques."
Download or read book Modern Techniques in Computational Chemistry MOTECC 91 written by E. Clementi and published by Springer Science & Business Media. This book was released on 1991-07-31 with total page 1314 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book High performance computing and networking written by Wolfgang Gentzsch and published by Springer Science & Business Media. This book was released on 1994 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation High-performance computing and networking (HPCN) is driven by several initiatives in Europe, the United States, and Japan. In Europe several groups encouraged the Commission of the European Communities to start an HPCN programme. This two-volume work presents the proceedings of HPCN Europe 1994. Volume 1 includes sections on: keynote talks, HPCN and visualization in industry, algorithms for engineering applications, electrical computer-aided engineering, computational fluid dynamics, computational chemistry, materials science, weather simulations, environmental applications and climate, high-energy physics and astrophysics, neuroscience and neural networks, and database applications.
Download or read book Semiconducting Polymers written by Georges Hadziioannou and published by John Wiley & Sons. This book was released on 2006-12-15 with total page 786 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of semiconducting polymers has attracted many researchers from a diversity of disciplines. Printed circuitry, flexible electronics and displays are already migrating from laboratory successes to commercial applications, but even now fundamental knowledge is deficient concerning some of the basic phenomena that so markedly influence a device's usefulness and competitiveness. This two-volume handbook describes the various approaches to doped and undoped semiconducting polymers taken with the aim to provide vital understanding of how to control the properties of these fascinating organic materials. Prominent researchers from the fields of synthetic chemistry, physical chemistry, engineering, computational chemistry, theoretical physics, and applied physics cover all aspects from compounds to devices. Since the first edition was published in 2000, significant findings and successes have been achieved in the field, and especially handheld electronic gadgets have become billion-dollar markets that promise a fertile application ground for flexible, lighter and disposable alternatives to classic silicon circuitry. The second edition brings readers up-to-date on cutting edge research in this field.
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.
