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Quantum Chemistry Of Polymers Solid State Aspects
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Book Synopsis Quantum Chemistry of Polymers — Solid State Aspects by : J. Ladik
Download or read book Quantum Chemistry of Polymers — Solid State Aspects written by J. Ladik and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: The NATO Advanced Study Institute on "Quantum Chemistry of Polymers; Solid State Aspects" lIIas held at the MARITIM Congress Hotel Braunlage/Harz in the Federal Republic of Germany from July 25 - August 5, 1983. We lIIish to express our deep gratitude to the NATO Scientific Affairs Division, the main sponsor of the Institute, and to the National Foundation for Cancer Research, Bethesda, Maryland for their substantial support. We sincerely thank Dr. Craig Sinclair, Director of the NATO Advanced Study Institutes program as lIIell as the IIIhole Advanced Study Institute/Advanced Research Workshop Advisory Board of the NATO Scientific Affairs Division, IIIho have honored us by holding their external annual meeting during this School in Braunlage. We are very much indebted also to Dr. Mario Di Lullo, Director of the Advanced Research Workshop program of the NATO Scientific Affairs Division IIIho together lIIith Dr. Sinclair has given a very informative lecture about the NATO ASI/ARW programs. Special thanks are due to Mr. Franklin Salisbury, Executive Director of the National Foundation for Cancer Research, to Mrs. Tamara Salisbury, Deputy Director of the National Foundation for Cancer Research and to Dr. Mary Hennen Aldridge, President of the National Foundation for Cancer Research, IIIho also honored the School lIIith their presence.
Book Synopsis Quantum Chemistry of Polymers - Solid State Aspects by : J. Ladik
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:
Book Synopsis Quantum Chemistry of Polymers - Solid State Aspects by : Janos Ladik
Download or read book Quantum Chemistry of Polymers - Solid State Aspects written by Janos Ladik and published by . This book was released on 1984 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantum Chemistry Aided Design of Organic Polymers by : Jean-Marie Andr
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.
Book Synopsis Exploring Aspects of Computational Chemistry by : Jean-Marie André
Download or read book Exploring Aspects of Computational Chemistry written by Jean-Marie André and published by Presses universitaires de Namur. This book was released on 1997 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pris ensemble, les deux volumes offrent une introduction théorique et pratique à la chimie quantique statistique. Ce livre s'adresse à un public spécialisé : étudiants de licence, doctorants, chercheurs...
Book Synopsis Chemical Physics and Quantum Chemistry by :
Download or read book Chemical Physics and Quantum Chemistry written by and published by Academic Press. This book was released on 2020-09-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. 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 Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry
Book Synopsis Accurate Condensed-Phase Quantum Chemistry by : Fred Manby
Download or read book Accurate Condensed-Phase Quantum Chemistry written by Fred Manby and published by CRC Press. This book was released on 2010-08-02 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided that sufficient computational resources are available. Until recently, these hierarchies have not been available in condensed-phase chemistry, but recent advances in the field have now led to a group of methods that are capable of reaching this goal. Accurate Condensed-Phase Quantum Chemistry addresses these new methods and the problems to which they can be applied. The book begins with an overview of periodic treatments of electron correlation, with an emphasis on the algorithmic features responsible for their computational efficiency. The first section of the book: Describes the Laplace-transform approach to periodic second-order perturbation theory (MP2) Examines local and density fitted schemes for MP2 in crystalline systems Presents test calculations for a variety of systems with small and medium-sized unit cells The next section focuses on methods based on treatment of the periodic solid in terms of fragments. This part of the book: Explores the incremental many-body scheme for electron correlation in solids, and describes progress towards metals and molecules on surfaces Describes the hierarchical method as an alternative fragment-based approach to electron correlation in crystalline solids, using conventional molecular electronic structure methods Examines electrostatically embedded many-body expansion for large systems, with an emphasis on molecular clusters and molecular liquids Explores delocalized and localized orbital approaches to the electronic structures of periodic and non-periodic solids Lastly, the book describes a practical method by which conventional molecular electronic structure theory can be applied to molecular liquids and solids. Along with the methodology, it presents results on small to medium water clusters as well as on liquid water.
Book Synopsis Quantum Theory of Polymers as Solids by : Janos J. Ladik
Download or read book Quantum Theory of Polymers as Solids written by Janos J. Ladik and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal of this monograph is to summarize the different quantum mechanical methods developed in the last 20 years to treat the electronic structure of polymers. Owing to the nature of the problem, these methods consist of a mixture of quantum-chemical and solid-state physical tech niques. The theory described in Part I treats, besides the Hartree-Fock problem, the· electron correlation, and it has also been developed for disordered polymeric systems. Though for obvious reasons the book could not include all the existing calculations, each new method des cribed is illustrated by a few applications, with a discussion of the numerical results obtained. Far more details see the Introduction to Part I. The second part contains the theoretical calculation of different properties of polymers based on the methods systematically introduced in the first part. The properties calculated include the electronic and vibrational spectra of polymers, and the computation of their transport, magnetic, and mechanical properties. In cases where reliable ex perimental data are available, the theoretical results are compared with them.
Book Synopsis Electroactive Polymer Electrochemistry by : Michael E.G. Lyons
Download or read book Electroactive Polymer Electrochemistry written by Michael E.G. Lyons and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of "tailormade" electrode surfaces using electroactive polymer films has been one of the most active and exciting areas of electrochemistry over the last 15 years. The properties of these materials have been examined by a wide range of scientists from a variety of perspectives, and now electroactive polymer research is considered to be a reasonably mature area of research endeavor. Much is now understood about the fundamental mechanism of conduction in these materials. A wide range of electrochemical techniques may be used to probe the conductivity processes in these materials, and more recently, a number of in situ spectroscopic techniques have been used to further elucidate the structure of these materials. The in situ spectroscopies and allied techniques have also been used to obtain correlations between structure and redox activity. The applications found for electroactive polymers are many and varied, and range from thin film amperometric chemical and biological sensors, electrocatalytic systems, drug delivery devices, and advanced battery systems through to molecular electronic devices. The research literature on electroactive polymers is truly enormous and can daunt even the most hardened researcher. The vast quantity of material reported in the literature can also intimidate beginning graduate students. Hence the present book. The original idea for this book arose as a result of a series of lectures on chemically modified eiectrodes and electroactive polymers given by the writer to final-year undergraduates at Trinity College Dublin.
Book Synopsis Theoretical Chemistry in Belgium by : Benoît Champagne
Download or read book Theoretical Chemistry in Belgium written by Benoît Champagne and published by Springer Science & Business Media. This book was released on 2013-10-16 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
Book Synopsis Polymer Yearbook by : Richard A. Pethrick
Download or read book Polymer Yearbook written by Richard A. Pethrick and published by CRC Press. This book was released on 1986 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains reviews on state-of-the-art Japanese research presented in the annual Spring and Autumn meetings of the Japanese Polymer Science Society. The aim of this section is to make information on the progress of Japanese Polymer Science, and on topics of current interest to polymer scientists in Japan, more easily available worldwide.
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1995-07-19 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results and insights, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Book Synopsis Solitons And Polarons In Conducting Polymers by : Lu Yu
Download or read book Solitons And Polarons In Conducting Polymers written by Lu Yu and published by World Scientific. This book was released on 1988-08-01 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyacetylence, (CH)x is the simplest conjugated polymer. Prestine polyacetylence is a good insulator, whereas its highly doped version exhibits metal-like electrical conductivity. This book gives a detailed introduction to this rapidly-developing field is given along with a collection of original papers. The main purpose is to help chemists and physicists grasp the main ideas and most important facts; an expert may also find it useful as a reference volume.
Book Synopsis Electronic Properties of Polymers and Related Compounds by : H. Kuzmany
Download or read book Electronic Properties of Polymers and Related Compounds written by H. Kuzmany and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: At the International Winter School on "Electronic Properties of Polymers and Related Compounds" particular attention was paid to a very new and special field in polymer research. It is concerned with the study of the electronic structure of polymers and with physical and chemical properties directly re lated to this structure. In particular, tutorial and research contributions on electrical, electrochemical, optical, magnetic, lattice dynamical and structural properties were presented. In addition, review reports on related topics such as charge transfer complexes and linear-chain compounds (transi tion-metal trichalcogenides) were included. In two discussion meEjtings, the special role of polyacetylene and possible present and future applications of the electronic properties of polymers, as e.g. conductors or as electrodes in electrochemical cells, were elucidated. The electronic properties of polymers cover a wide range of research problems which are of particular interest for polymers with a 1T-electron system. Thus, a great part of the work presented was concerned with conjuga ted systems. Additional presentations dealt with other systems such as bio polymers, photopolymers or electrets, which are of significant scientific and technical importance. It was demonstrated how their electronic proper ties are increasingly being investigated from a fundamental point of view by applying known concepts of snlid-state science.
Book Synopsis Nonlinear Optical and Electroactive Polymers by : Paras N. Prasad
Download or read book Nonlinear Optical and Electroactive Polymers written by Paras N. Prasad and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: This treatise is a compendium of papers based on invited talks presented at the American Chemical Society Symposium on Electroactive Polymers which covered nonlinear optical polymers and conducting polymers, the common denominator being the correlated pi-electron structures. The improved understanding of the consequences of pi-electron delocalization upon nonlinear optical properties and charge carrier dynamics has laid the foundation for the rapid development and application of the electroresponse of conjugated polymers. As a result, the area of electroactive and nonlinear optical polymers is emerging as a frontier of sCience and technology. It is a multidisciplinary field that is bringing together scientists and engineers of varied background to interface their expertise. The recent explosion of interest in this area stems from the prospect of utilizing nonlinear optical effects for optical switching and logic operations in optical computing, optical signal processing, optical sensing and optical fiber communications. Polymers and organic are rapidly becoming one of the major material classes for nonlinear optical applications along with multiple quantum wells, ferroelectrics and other oxides, and direct band-gap semiconductors. The reasons for this lie in the unique molecular structures of polymers and organics and the ability to molecularly engineer the architecture of these structures through chemical synthesis.
Book Synopsis Computational Modeling of Polymers by : Jozef Bicerano
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:
Book Synopsis Theory and Applications of Computational Chemistry by : Clifford Dykstra
Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists. * Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry * Is the perfect introduction to the field
