Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
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.
Download or read book Metal Nanocrystals written by Kallum M. Koczkur and published by American Chemical Society. This book was released on 2020-07-31 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our society depends heavily on metals. They are ubiquitous construction materials, critical interconnects in integrated circuits, common coinage materials, and more. Excitingly, new uses for metals are emerging with the advent of nanoscience, as metal crystals with nanoscale dimensions can display new and tunable properties. The optical and photothermal properties of metal nanocrystals have led to cancer diagnosis and treatment platforms now in clinical trials, while, at the same time, the ability to tune the surface features of metal nanocrystals is giving rise to designer catalysts that enable more sustainable use of precious resources. These are just two examples of how metal nanocrystals are addressing important social needs.
Download or read book Frontiers in Chemical Engineering written by National Research Council and published by National Academies Press. This book was released on 1988-02-01 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the next 10 to 15 years, chemical engineers have the potential to affect every aspect of American life and promote the scientific and industrial leadership of the United States. Frontiers in Chemical Engineering explores the opportunities available and gives a blueprint for turning a multitude of promising visions into realities. It also examines the likely changes in how chemical engineers will be educated and take their place in the profession, and presents new research opportunities.
Download or read book Advanced Oxidation Processes for Water and Wastewater Treatment written by Simon Parsons and published by IWA Publishing. This book was released on 2004-03-01 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: The suitability of Advanced Oxidation Processes (AOPs) for pollutant degradation was recognised in the early 1970s and much research and development work has been undertaken to commercialise some of these processes. AOPs have shown great potential in treating pollutants at both low and high concentrations and have found applications as diverse as ground water treatment, municipal wastewater sludge destruction and VOCs control. Advanced Oxidation Processes for Water and Wastewater Treatment is an overview of the advanced oxidation processes currently used or proposed for the remediation of water, wastewater, odours and sludge. The book contains two opening chapters which present introductions to advanced oxidation processes and a background to UV photolysis, seven chapters focusing on individual advanced oxidation processes and, finally, three chapters concentrating on selected applications of advanced oxidation processes. Advanced Oxidation Processes for Water and Wastewater Treatment will be invaluable to readers interested in water and wastewater treatment processes, including professionals and suppliers, as well as students and academics studying in this area. Dr Simon Parsons is a Senior Lecturer in Water Sciences at Cranfield University with ten years' experience of industrial and academic research and development.
Download or read book Applied Photochemistry written by Rachel C. Evans and published by Springer Science & Business Media. This book was released on 2014-07-08 with total page 619 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Photochemistry encompasses the major applications of the chemical effects resulting from light absorption by atoms and molecules in chemistry, physics, medicine and engineering, and contains contributions from specialists in these key areas. Particular emphasis is placed both on how photochemistry contributes to these disciplines and on what the current developments are. The book starts with a general description of the interaction between light and matter, which provides the general background to photochemistry for non-specialists. The following chapters develop the general synthetic and mechanistic aspects of photochemistry as applied to both organic and inorganic materials, together with types of materials which are useful as light absorbers, emitters, sensitisers, etc. for a wide variety of applications. A detailed discussion is presented on the photochemical processes occurring in the Earth’s atmosphere, including discussion of important current aspects such as ozone depletion. Two important distinct, but interconnected, applications of photochemistry are in photocatalytic treatment of wastes and in solar energy conversion. Semiconductor photochemistry plays an important role in these and is discussed with reference to both of these areas. Free radicals and reactive oxygen species are of major importance in many chemical, biological and medical applications of photochemistry, and are discussed in depth. The following chapters discuss the relevance of using light in medicine, both with various types of phototherapy and in medical diagnostics. The development of optical sensors and probes is closely related to diagnostics, but is also relevant to many other applications, and is discussed separately. Important aspects of applied photochemistry in electronics and imaging, through processes such as photolithography, are discussed and it is shown how this is allowing the increasing miniaturisation of semiconductor devices for a wide variety of electronics applications and the development of nanometer scale devices. The final two chapters provide the basic ideas necessary to set up a photochemical laboratory and to characterise excited states. This book is aimed at those in science, engineering and medicine who are interested in applying photochemistry in a broad spectrum of areas. Each chapter has the basic theories and methods for its particular applications and directs the reader to the current, important literature in the field, making Applied Photochemistry suitable for both the novice and the experienced photochemist.
Download or read book Macromolecular Syntheses written by Charles Gilbert Overberger and published by . This book was released on 2002 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an up-to-date collection of presentations and posters given at a tutorial and workshop sponsored by the Polymer Division of the American Chemical Society. The material included encompasses recent research results, overviews of critical areas and short presentations in the form of posters and preprints. The book is targeted at established workers in the field of fluoropolymers as well as those wishing to develop a quick understanding of current knowledge and trends in this important field.
Download or read book Beyond Born Oppenheimer written by Michael Baer and published by John Wiley & Sons. This book was released on 2006-03-31 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approach--diabatization--for eliminating troublesome NACTs and deriving well-converged equations to treat the interactions within and between molecules. Concentrating on both the practical and theoretical aspects of electronic nonadiabatic transitions in molecules, Professor Baer uses a simple mathematical language to rigorously eliminate the singular NACTs and enable reliable calculations of spectroscopic and dynamical cross sections. He presents models of varying complexity to illustrate the validity of the theory and explores the significance of the study of NACTs and the relationship between molecular physics and other fields in physics, particularly electrodynamics. The first book of its king Beyond Born-Oppenheimer: * Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections * Describes the Born-Oppenheimer treatment, including the concepts of adiabatic and diabatic frameworks * Introduces a field-theoretical approach to calculating NACTs, which offers an alternative to time-consuming ab initio procedures * Discusses various approximations for treating a large system of diabatic Schrödinger equations * Presents numerous exercises with solutions to further clarify the material being discussed Beyond Born-Oppenheimer is required reading for physicists, physical chemists, and all researchers involved in the quantum mechanical study of molecular systems.
Download or read book Textbook of Organic Medicinal and Pharmaceutical Chemistry written by Charles Owens Wilson and published by Lippincott Williams & Wilkins. This book was released on 1977 with total page 1150 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Caged Compounds written by Gerard Marriott and published by Academic Press. This book was released on 1998-06-22 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: The critically acclaimed laboratory standard for more than forty years, Methods in Enzymology is one of the most highly respected publications in the field of biochemistry. Since 1955, each volume has been eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. More than 285 volumes have been published (all of them still in print) and much of the material is relevant even today--truly an essential publication for researchers in all fields of life sciences.
Download or read book Chemistry in Action Making Molecular Movies with Ultrafast Electron Diffraction and Data Science written by Lai Chung Liu and published by Springer Nature. This book was released on 2020-09-10 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions. A great challenge of modern science has been to directly observe atomic motions during structural transitions, and while this was first achieved through a major advance in electron source brightness, the information content was still limited and new methods for image reconstruction using femtosecond electron diffraction methods were needed. One particular challenge lay in reconciling the innumerable possible nuclear configurations with the observation of chemical reaction mechanisms that reproducibly give the same kind of chemistry for large classes of molecules. The author shows that there is a simple solution that occurs during barrier crossing in which the highly anharmonic potential at that point in nuclear rearrangements couples high- and low-frequency vibrational modes to give highly localized nuclear motions, reducing hundreds of potential degrees of freedom to just a few key modes. Specific examples are given in this thesis, including two photoinduced phase transitions in an organic system, a ring closure reaction, and two direct observations of nuclear reorganization driven by spin transitions. The emerging field of structural dynamics promises to change the way we think about the physics of chemistry and this thesis provides tools to make it happen.
Download or read book Light Associated Reactions of Synthetic Polymers written by A. Ravve and published by Springer Science & Business Media. This book was released on 2007-01-15 with total page 377 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book combines theoretical explanations of the reactions of light and polymeric materials with development of light responsive polymeric materials for various practical applications. Photo associated reactions and light responsive materials have great potential to improve existing industrial processes, including capturing solar energy. This book presents a range of reactions and materials with some of the most exciting current and future applications.
Download or read book Heterogeneous Photocatalysis Using Inorganic Semiconductor Solids written by Umar Ibrahim Gaya and published by Springer Science & Business Media. This book was released on 2013-11-08 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book underscores the essential principles of photocatalysis and provides an update on its scientific foundations, research advances, and current opinions, and interpretations. It consists of an introduction to the concepts that form the backbone of photocatalysis, from the principles of solid-state chemistry and physics to the role of reactive oxidizing species. Having recognised the organic link with chemical kinetics, part of the book describes kinetic concepts as they apply to photocatalysis. The dependence of rate on the reaction conditions and parameters is detailed, the retrospective and prospective aspects of the mechanism of photocatalysis are highlighted, and the adsorption models, photocatalytic rate expressions, and kinetic disguises are examined. This book also discusses the structure, property, and activity relationship of prototypical semiconductor photocatalysts and reviews how to extend their spectral absorption to the visible region to enable the effective use of visible solar spectrum. Lastly, it presents strategies for deriving substantially improved photoactivity from semiconductor materials to support the latest applications and potential trends.
Download or read book Biochemistry written by David E. Metzler and published by Academic Press. This book was released on 2001 with total page 1064 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biochemistry: The Chemical Reactions of Living Cells is a well-integrated, up-to-date reference for basic chemistry and underlying biological phenomena. Biochemistry is a comprehensive account of the chemical basis of life, describing the amazingly complex structures of the compounds that make up cells, the forces that hold them together, and the chemical reactions that allow for recognition, signaling, and movement. This book contains information on the human body, its genome, and the action of muscles, eyes, and the brain. * Thousands of literature references provide introduction to current research as well as historical background * Contains twice the number of chapters of the first edition * Each chapter contains boxes of information on topics of general interest
Download or read book Silicon Containing Dendritic Polymers written by Petar R. Dvornic and published by Springer Science & Business Media. This book was released on 2009-01-09 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last two decades silicon-containing dendritic polymers have become one of the fastest growing areas of development in polymer science. The eruption of interest in these new polymers stems from their unprecedented molecular architecture, unique resulting properties and the realization that they represent ideal building blocks for chemical nanotechnology. This is the first book to solely focus on silicon-containing dendritic polymers. The contributions of those experts who originally introduced each field or played a major role in its progress are reported. The developments in all major areas of this field are presented from their origins to the present. It is anticipated that this text will become an invaluable guide and vanguard of reference for experienced scientists interested in the fields of polymer and material science, synthetic chemistry, and nanotechnology. It will also serve advanced graduate students either as a source of creative inspiration or as a textbook for appropriate courses.
Download or read book Processes in Photoreactive Polymers written by V.V. Krongauz and published by Springer Science & Business Media. This book was released on 1995-02-28 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of photosensitive materials in general and photoreactive polymers in particular is responsible for major advances in the information, imaging, and electronic industries. Computer parts manufacturing, information storage, and book and magazine publishing all depend on photoreactive polymer systems. The photo-and radiation-induced processes in polymers are also active areas of research. New information on the preparation and properties of com mercially available photosensitive systems is constantly being acquired. The recent demand for environmentally safe solvent-free and water-soluble materials also motivated changes in the composition of photopolymers and photoresists. The interest in holographic recording media for head-up displays, light scanners, and data recording stimulated development of reconfigurable and visible light sensitive materials. Photoconductive polymerizable coatings are being tested in electrostatic proofing and color printing. The list of available initiators, poly meric binders, and other coating ingredients is continually evolving to respond to the requirements of low component loss (low diffusivity) and the high rate of photochemical reactions.
Download or read book Homogeneous Photocatalysis written by M. Chanon and published by John Wiley & Sons. This book was released on 1997-03-06 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photocatalysis and related processes occupy a strategic position for the future of photochemistry. This volume provides an introduction to basic concepts and explains how applications work at the molecular level.
