Quantum Chemistry Aided Design Of Organic Polymers: An Introduction To The Quantum Chemistry Of Polymers And Its Applications


Book Description

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.




Quantum Dynamics


Book Description

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




Reviews in Computational Chemistry, Volume 17


Book Description

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







Organic Solar Cells


Book Description

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.




Physical Chemistry Of Biopolymer Solutions,the: Application Of Physical Techniques To The Study Of Proteins & Nuclei Acids


Book Description

The book is concerned with the application of physical techniques to the study of the structure and interactions of biopolymers. The treatment is confined to those procedures applicable to solutions. The material has been tested on students in actual classes, thereby permitting the elimination of ambiguities and potential points of difficulty. Stress has been placed upon lucidity of treatment, and difficult steps in derivations have been explained. The mathematical exposition has been made as clear and simple as feasible. Examples of actual data are given.




Modern Aspects of Electrochemistry


Book Description

Recognized experts present incisive analysis of both fundamental and applied problems in this continuation of a highly acclaimed series. Topics discussed include: A review of the literature on the potential-of-zero charge by Trasatti and Lust. A thorough review and discussion of nonequilibrium fluctuations in corrosion processes. A wide-ranging discussion of conducting polymers, electrochemistry, and biomimicking processes. Microwave (photo)electrochemistry, from its origins to today's research opportunities, including its relation to electrochemistry. New fluorine cell design, from model development through preliminary engineering modeling, laboratory tests, and pilot plant tests. A comprehensive account of the major and rapidly developing field of the electrochemistry of electronically conducting polymers and their applications. These authoritative studies will be invaluable for researchers in engineering, electrochemistry, analytical chemistry, materials science, physical chemistry, and corrosion science.




Péter R. Surján


Book Description

In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.




Wspc Reference On Organic Electronics, The: Organic Semiconductors (In 2 Volumes)


Book Description

This 2-volume set provides the reader with a basic understanding of the foundational concepts pertaining to the design, synthesis, and applications of conjugated organic materials used as organic semiconductors, in areas including organic photovoltaic devices, light-emitting diodes, field-effect transistors, spintronics, actuation, bioelectronics, thermoelectrics, and nonlinear optics.While there are many monographs in these various areas, the emphasis here is both on the fundamental chemistry and physics concepts underlying the field of organic semiconductors and on how these concepts drive a broad range of applications. This makes the volumes ideal introductory textbooks in the subject. They will thus offer great value to both junior and senior scientists working in areas ranging from organic chemistry to condensed matter physics and materials science and engineering.Number of Illustrations and Tables: 168 b/w illus., 242 colour illus., 13 tables.




Biophysics And Biochemistry Of Protein Aggregation: Experimental And Theoretical Studies On Folding, Misfolding, And Self-assembly Of Amyloidogenic Peptides


Book Description

This book reviews current research on the important processes involved in neurodegenerative diseases (e.g. Alzheimer's disease) and the peptides and proteins involved in the amyloidogenic processes. It covers the design and developments of anti-amyloid inhibitors, and gives readers a fundamental understanding of the underlying oligomerization and aggregation processes of these diseases from both computational and experimental points of view.