Download or read book Theoretical Studies on the Reaction Pathways of Electronically Excited DAAF written by and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of temporally and spectrally shaped ultrafast laser pulses to initiate, as well as detect, high explosives is being explored at Los Alamos. High level ab initio calculations, presented here, are employed to help guide and interpret the experiments. The ground and first excited electronic states of 3,3(prime)-diamino-4,4(prime)-azoxyfurazan (DAAF) are investigated using complete active space self-consistent field (CASSCF) and time-dependent density functional theory (TD-DFT). The geometrical and energetic character of the excited state minima, conical intersections and reaction pathways of DAAF are described. Two radiative and two non-radiative excited state population quenching mechanisms are outlined, and possible pathways for photochemical and spectroscopic control are discussed. The use of laser light to control chemical reactions has many applications. The initiation and the detection of explosives are two such applications currently under development at Los Alamos. Though inherently experimental, the project can be aided by theory through both prediction and interpretation. When the laser light is in the UV/visible region of the electromagnetic spectrum, the absorbing molecule is excited electronically and excitation decay may occur either radiatively (fluorescence or phosphorescence) or non-radiatively (through internal conversion). In many cases decay of the excitation occurs through a mixture of processes, and maximizing the desired result requires sophisticated laser pulses whose amplitude has been optimally modulated in time and/or frequency space. Control of cis-stilbene photochemistry was recently demonstrated in our group, and we aim to extend this work to high explosive compounds. Maximizing radiative decay leads to increased fluorescence quantum yields and enhances the possibility of spectral detection of the absorbing molecule. Maximizing non-radiative decay can lead to chemistry, heating of the sample and possibly detonation initiation in an explosive compound. Here we describe high level quantum chemistry calculations aimed at mapping the electronic states involved in excitation of 3,3(prime)-Diamino-4,4(prime)-azoxyfurazan (DAAF) with 400-nm light. DAAF is a high-nitrogen high explosive that is of interest for its relative insensitivity to shock compression. The goal of the theoretical work described here is to determine the competing pathways for radiative and non-radiative electronic state quenching in an effort to help guide spectroscopic experiments being conducted in tandem.
Download or read book Reaction Pathways and Rates from Electronic Structure Theory written by Baron Gabriel Peters and published by . This book was released on 2004 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energetic Materials written by John R. Sabin and published by Academic Press. This book was released on 2014-02-10 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances 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. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field
Download or read book Inorganic Photochemistry written by and published by Academic Press. This book was released on 2011-07-14 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is fully referenced. - Features comprehensive reviews on the latest developments - Includes contributions from leading experts in the field - Serves as an indispensable reference to advanced researchers
Download or read book Directory of Graduate Research written by and published by . This book was released on 2001 with total page 1846 pages. Available in PDF, EPUB and Kindle. Book excerpt: Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
Download or read book Photochemistry of Coordination Compounds written by Vincenzo Balzani and published by . This book was released on 1970 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemistry of Zeolites and Related Porous Materials written by Ruren Xu and published by John Wiley & Sons. This book was released on 2009-05-29 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Widely used in adsorption, catalysis and ion exchange, the family of molecular sieves such as zeolites has been greatly extended and many advances have recently been achieved in the field of molecular sieves synthesis and related porous materials. Chemistry of Zeolites and Related Porous Materials focuses on the synthetic and structural chemistry of the major types of molecular sieves. It offers a systematic introduction to and an in-depth discussion of microporous, mesoporous, and macroporous materials and also includes metal-organic frameworks. Provides focused coverage of the key aspects of molecular sieves Features two frontier subjects: molecular engineering and host-guest advanced materials Comprehensively covers both theory and application with particular emphasis on industrial uses This book is essential reading for researches in the chemical and materials industries and research institutions. The book is also indispensable for researches and engineers in R&D (for catalysis) divisions of companies in petroleum refining and the petrochemical and fine chemical industries.
Download or read book ACS Style Guide written by Anne M. Coghill and published by American Chemical Society. This book was released on 2006 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the time since the second edition of The ACS Style Guide was published, the rapid growth of electronic communication has dramatically changed the scientific, technical, and medical (STM) publication world. This dynamic mode of dissemination is enabling scientists, engineers, and medicalpractitioners all over the world to obtain and transmit information quickly and easily. An essential constant in this changing environment is the requirement that information remain accurate, clear, unambiguous, and ethically sound.This extensive revision of The ACS Style Guide thoroughly examines electronic tools now available to assist STM writers in preparing manuscripts and communicating with publishers. Valuable updates include discussions of markup languages, citation of electronic sources, online submission ofmanuscripts, and preparation of figures, tables, and structures. In keeping current with the changing environment, this edition also contains references to many resources on the internet.With this wealth of new information, The ACS Style Guide's Third Edition continues its long tradition of providing invaluable insight on ethics in scientific communication, the editorial process, copyright, conventions in chemistry, grammar, punctuation, spelling, and writing style for any STMauthor, reviewer, or editor. The Third Edition is the definitive source for all information needed to write, review, submit, and edit scholarly and scientific manuscripts.
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book How Tobacco Smoke Causes Disease written by United States. Public Health Service. Office of the Surgeon General and published by . This book was released on 2010 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report considers the biological and behavioral mechanisms that may underlie the pathogenicity of tobacco smoke. Many Surgeon General's reports have considered research findings on mechanisms in assessing the biological plausibility of associations observed in epidemiologic studies. Mechanisms of disease are important because they may provide plausibility, which is one of the guideline criteria for assessing evidence on causation. This report specifically reviews the evidence on the potential mechanisms by which smoking causes diseases and considers whether a mechanism is likely to be operative in the production of human disease by tobacco smoke. This evidence is relevant to understanding how smoking causes disease, to identifying those who may be particularly susceptible, and to assessing the potential risks of tobacco products.
Download or read book One Hundred Years at the Intersection of Chemistry and Physics written by Jeremiah James and published by Walter de Gruyter. This book was released on 2011-10-27 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume, occasioned by the centenary of the Fritz Haber Institute, formerly the Institute for Physical Chemistry and Electrochemistry, covers the institute's scientific and institutional history from its founding until the present. The institute was among the earliest established by the Kaiser Wilhelm Society, and its inauguration was one of the first steps in the development of Berlin-Dahlem into a center for scientific research. Its establishment was made possible by an endowment from Leopold Koppel, granted on the condition that Fritz Haber, well-known for his discovery of a method to synthesize ammonia from its elements, be made its director. The history of the institute has largely paralleled that of 20th-century Germany. It undertook controversial weapons research during World War I, followed by a "Golden Era" during the 1920s, in spite of financial hardships. Under the National Socialists it experienced a purge of its scientific staff and a diversion of its research into the service of the new regime, accompanied by a breakdown in its international relations. In the immediate aftermath of World War II it suffered crippling material losses, from which it recovered slowly in the post-war era. In 1953, shortly after taking the name of its founding director, the institute joined the fledgling Max Planck Society. During the 1950s and 60s, the institute supported diverse researches into the structure of matter and electron microscopy in a territorially insular and politically precarious West-Berlin. In subsequent decades, as both Berlin and the Max Planck Society underwent significant changes, the institute reorganized around a board of coequal scientific directors and a renewed focus on the investigation of elementary processes on surfaces and interfaces, topics of research that had been central to the work of Fritz Haber and the first "Golden Era" of the institute.
Download or read book Oxford Textbook of Nature and Public Health written by Matilda van den Bosch and published by Oxford University Press. This book was released on 2018-01-05 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Human beings have always been affected by their surroundings. There are various health benefits linked to being able to access to nature; including increased physical activity, stress recovery, and the stimulation of child cognitive development. The Oxford Textbook of Nature and Public Health provides a broad and inclusive picture of the relationship between our own health and the natural environment. All aspects of this unique relationship are covered, ranging from disease prevention through physical activity in green spaces to innovative ecosystem services, such as climate change adaptation by urban trees. Potential hazardous consequences are also discussed including natural disasters, vector-borne pathogens, and allergies. This book analyses the complexity of our human interaction with nature and includes sections for example epigenetics, stress physiology, and impact assessments. These topics are all interconnected and fundamental for reaching a full understanding of the role of nature in public health and wellbeing. Much of the recent literature on environmental health has primarily described potential threats from our natural surroundings. The Oxford Textbook of Nature and Public Health instead focuses on how nature can positively impact our health and wellbeing, and how much we risk losing by destroying it. The all-inclusive approach provides a comprehensive and complete coverage of the role of nature in public health, making this textbook invaluable reading for health professionals, students, and researchers within public health, environmental health, and complementary medicine.
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration. Technical Information Center and published by . This book was released on 1976 with total page 962 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Science of Flavonoids written by Erich Grotewold and published by Springer Science & Business Media. This book was released on 2008 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the only book of its kind to provide an overview of the science of flavonoids in plants.
Download or read book Self Efficacy in Changing Societies written by Albert Bandura and published by Cambridge University Press. This book was released on 1997-05-13 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volume addresses important issues of human adaptation and change.
Download or read book Essential Immunology written by Ivan Maurice Roitt and published by . This book was released on 1971 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Alternative Respiratory Pathways in Higher Plants written by Kapuganti Jagadis Gupta and published by John Wiley & Sons. This book was released on 2015-06-15 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rapid developments in molecular and systems biology techniques have allowed researchers to unravel many new mechanisms through which plant cells switch over to alternative respiratory pathways. This book is a unique compendium of how and why higher plants evolved alternative respiratory metabolism. It offers a comprehensive review of current research in the biochemistry, physiology, classification and regulation of plant alternative respiratory pathways, from alternative oxidase diversity to functional marker development. The resource provides a broad range of perspectives on the applications of plant respiratory physiology, and suggests brand new areas of research. Other key features: written by an international team of reputed plant physiologists, known for their pioneering contributions to the knowledge of regular and alternative respiratory metabolism in higher plants includes step-by-step protocols for key molecular and imaging techniques advises on regulatory options for managing crop yields, food quality and environment for crop improvement and enhanced food security covers special pathways which are of key relevance in agriculture, particularly in plant post-harvest commodities Primarily for plant physiologists and plant biologists, this authoritative compendium will also be of great value to postdoctoral researchers working on plant respiration, as well as to graduate and postgraduate students and university staff in Plant Science. It is a useful resource for corporate and private firms involved in developing functional markers for breeding programs and controlling respiration for the prevention of post-harvest losses in fruit, vegetables, cut flowers and tubers.
