Download or read book Photodetachment Dynamics of Oxygenated Organic Anions and Solvated Iodide Clusters written by Michael Shane Bowen and published by . This book was released on 2005 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation focuses on the photodetachment dynamics of small oxygen-containing organic anions and iodide atoms clustered with a series of different solvents. These molecular systems represent important classes of transient species that play a role in complex oxidation and solvation phenomena. Photoelectron-photofragment coincidence spectroscopy was used to characterize the photodetachment and dissociation dynamics of these species. Interpretation of the resulting energy spectra, photoelectron angular distributions and dissociation dynamics was aided by density functional theory calculations. Small oxygen-containing organic radicals, such as the vinoxy and allyloxy radicals presented in Chapters 3 and 4, are representative volatile organic compounds. These species are of great interest to atmospheric and physical chemists because they play important roles in atmospheric oxidation and combustion processes. A detailed understanding of the energetics and dynamics of these reactive species is essential to understanding complex combustion and atmospheric environments. The photodetachment dynamics of solvated iodide anions probes solvation phenomena at a microscopic level. The investigations presented in Chapters 5 and 6 approach the study of solvation by characterizing the dissociative photodetachment dynamics of solvated iodide atoms, I−(X). This approach characterizes the half-collision dynamics between a series of different solvents and the iodine atom, as configured in the equilibrium geometries of the anionic precursors. The solvents investigated, X, were CO2, NH3, H2O, C6H5NH2 and C6H5OH. These studies yield information about the effects of different types of intermolecular forces on the photodetachment dynamics of I− as well as the dissociation dynamics of the weakly interacting neutral cluster constituents. For the I−(C6H5NH2) complex, a novel wavelength-independent autodetachment process involving a transient C6H5NH2 species was found to compete with direct photodetachment.
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 902 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Encyclopedia of Mass Spectrometry written by Michael L. Gross and published by Pergamon. This book was released on 2003-07-25 with total page 954 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-volume work provides comprehensive coverage of the full range of topics and techniques in mass spectrometry. Techniques, methods and applications are described in detail; including limitations, current problems, and areas in which the method does not succeed well.
Download or read book Rydberg States of Atoms and Molecules written by R. F. Stebbings and published by Cambridge University Press. This book was released on 1983-04-29 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: After the development of the tunable laser, experimental studies in Rydberg states of atoms and molecules grew at a remarkable rate. Fundamental questions were resolved, opening doors for more experimental activity and theoretical inquiry. In this comprehensive summary of knowledge of Rydberg states, which was originally published in 1983, Professors Stebbings and Dunning brought together a select collection of experimental and theoretical discussions. Composed of works by the acknowledged leaders in the field, this volume will be of value for anyone with an interest in molecular physics.
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Download or read book The Hydrated Electron written by Edwin James Hart and published by John Wiley & Sons. This book was released on 1970 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Organic reactive intermediates written by Samuel McManus and published by Elsevier. This book was released on 2012-12-02 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic Chemistry: A Series of Monographs, Volume 26: Organic Reactive Intermediates focuses on the study of reactive intermediates. This book discusses the methods of formation and investigation, factors affecting the stability, and reactions of the intermediate. Other topics include the formation and reaction of free radicals; kinetic aspects of free-radical chain reactions; electronic states and structures of carbenes; and formation of transient carbenes and carbenoids in solution. The intermediacy of nitrenes in reactions; electronic structure and spectra; methods of investigating carbonium ions; and reactions of carbonium ions are also elaborated. This publication likewise covers the preparation of carbanions; factors affecting the stability of carbanions; reactions involving radical ions; and methods of investigating arynes. This volume serves as a textbook for the first graduate-level course, as well as a reference for industrial chemists interested in organic reaction mechanisms.
Download or read book Specific Ion Effects written by Werner Kunz and published by World Scientific. This book was released on 2010 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.
Download or read book Polyoxometalate Chemistry written by and published by Academic Press. This book was released on 2017-02-17 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyoxometalate Chemistry continues a long-running series that describes recent advances in scientific research, in particular, in the field of inorganic chemistry. Several highly regarded experts, mostly from academia, contribute on specific topics. The current issue focuses on recent advances in the development and application of polyoxometalate complexes in areas such as solution chemistry, self-organization, solar fuels, non-aqueous chemistry, spintronics, nanoscience and catalysis. Presents a single monograph on recent developments in polyoxometalate chemistry as written by scientific leaders in this field Concise and informative presentations cover a wide range of topics in this field of chemistry Contains detailed literature references, enabling the reader to move on to the source of the reported work where more details can be found Provides a solid presentation of a hard-cover book of excellent technical quality
Download or read book Nanodroplets written by Zhiming M. Wang and published by Springer Science & Business Media. This book was released on 2014-01-08 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanodroplets, the basis of complex and advanced nanostructures such as quantum rings, quantum dots and quantum dot clusters for future electronic and optoelectronic materials and devices, have attracted the interdisciplinary interest of chemists, physicists and engineers. This book combines experimental and theoretical analyses of nanosized droplets which reveal many attractive properties. Coverage includes nanodroplet synthesis, structure, unique behaviors and their nanofabrication, including chapters on focused ion beam, atomic force microscopy, molecular beam epitaxy and the "vapor-liquid- solid" route. Particular emphasis is given to the behavior of metallic nanodroplets, water nanodroplets and nanodroplets in polymer and metamaterial nanocomposites. The contributions of leading scientists and their research groups will provide readers with deeper insight into the chemical and physical mechanisms, properties, and potential applications of various nanodroplets.
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1992 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Atomic and Molecular Processes written by D.R. Bates and published by Elsevier. This book was released on 2016-06-03 with total page 921 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic and Molecular Processes focuses on radiative and collisional processes involving atoms or molecules, including photoionization, elastic and inelastic scattering of electrons, energy loss by slow electrons, excitation, ionization, detachment, charge transfer, elastic scattering, and chemical reactions. The selection first offers information on forbidden and allowed transitions, including forbidden transitions in diatomic molecular spectra; forbidden transitions in crystals; calculations of atomic line strengths; and measurements of atomic transition probabilities. The book also ponders on photoionization processes, photodetachment, and high temperature shock waves. The manuscript elaborates on electronic and ionic recombination, elastic scattering of electrons, and the motions of slow electrons in gases. The book also evaluates the theory of excitation and ionization by electron impact; measurement of collisional excitation and ionization cross sections; and spectral line broadening in plasmas. The selection is a dependable reference for readers interested in atomic and molecular processes.
Download or read book Femtochemistry VII written by Michele Kimble and published by Elsevier. This book was released on 2006-10-03 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: Femtochemistry VII presents the most recent developments in femtochemistry and highlights the significance of the field today. This book contains extracts from the proceedings, presentations and posters from the Femtochemistry VII conference, held in Washington D.C., on July 17-22, 2005. The stimulating conference was opened by Professor Ahmed Zewail (1999 Nobel Prize Winner), and as was evident by the attendees at the conference, had a very active program with the presentation of numerous talks and a large number of posters. This collection of papers reflects the remarkable progress that has been made in femtosecond spectroscopy, and especially to its emergence as a field of research devoted to chemistry and biology, giving rise to femtochemistry and femtobiology. Subjects covered include imaging, structural dynamics, and spectroscopies, fundamentals of reaction dynamics, salvation phenomenta, liquids and interfaces, aggregates/particles/surfaces, protein dynamics and photobiology, quantum control, and intense laser-matter interactions. Subjects covered by this book include imaging, structural dynamics, and spectroscopies; fundamentals of reaction dynamics; salvation phenomenta; liquids and interfaces; aggregates/particles/surfaces; protein dynamics and photobiology; quantum control; and intense laser-matter interactions. This book would appeal to chemists, physicists and biologists in the fields of atomic and molecular science. * Contains the most recent developments in Femtochemistry from the Femtochemistry VII conference* Highlights the significance of femtochemistry today* Displays extracts from the proceedings, presentations and posters from the conference
Download or read book Modern Mass Spectrometry written by Peter B. Armentrout and published by Springer Science & Business Media. This book was released on 2003-06-23 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: I Reactivity: E. Uggerud: Physical Organic Chemistry of the Gas Phase. Reactivity Trends for Organic Cations.- S. Petrie, D.K. Bohme: Mass Spectrometric Approaches to Interstellar Chemistry.- F. Turecek: Transient Intermediates of Chemical Reactions by Neutralization-Reionization Mass Spectrometry.- II Metalorganic Chemistry: D. Schröder, H. Schwarz: Diastereoselective Effects in Gas-Phase Ion Chemistry.- D.A. Plattner: Metalorganic Chemistry in the Gas Phase: Insight into Catalysis.- III Mass Spectrometric Methodology: T. Wyttenbach, M.T. Bowers: Gas-Phase Conformations: The Ion Mobility/Ion Chromatography Method.- P.B. Armentrout: Threshold Collision-Induced Dissociations for the Determination of Accurate Gas-Phase Binding Energies and Reaction Barriers.- IV Medicinal Chemistry: S.A. Trauger, T. Junker, G. Siuzdak: Investigating Viral Proteins and Intact Viruses with Mass Spectrometry M. Brönstrup: High-Throughput Mass Spectrometry for Compound Characterization in Drug Discovery.
Download or read book Hydrogen Bonding New Insights written by Slawomir Grabowski and published by Springer Science & Business Media. This book was released on 2006-10-07 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.
Download or read book Gold Chemistry written by Fabian Mohr and published by John Wiley & Sons. This book was released on 2009-04-20 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by world-class authors, this most recent major book on the topic highlights new and current trends as well as future directions. It is comprehensive in its scope, covering all aspects of gold chemistry -- from homogeneous to heterogeneous catalysis, from supramolecular assemblies to sensors and medicinal applications. The result is an invaluable work for both organic and inorganic chemists working in universities and industry, as well as material scientists.
Download or read book Computational Chemistry written by Jerzy Leszczynski and published by World Scientific. This book was released on 1996 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an overview of recent progress in computational techniques as well as examples of the application of existing computational methods in different areas of chemistry, physics, and biochemistry. Introductory chapters cover a broad range of fundamental topics, including: state-of-the-art basis set expansion methods for computing atomic and molecular electronic structures based on the use of relativistic quantum mechanics; the most recent developments in Hartree-Fock methods, particularly in techniques suited for very large systems; the current analysis of the solute-solvent free energy of interaction and the physical bases used to evaluate the electrostatic, cavitation, and dispersion terms; an introduction to the additive fuzzy electron density fragmentation scheme within various ab initio Hartree-Fock quantum-chemical computational schemes, which has provided the means for generating representative molecular fragment densities characteristic to their local environment within a molecule. This book also features a review of recent ab initio calculations on the structure and interactions of DNA bases, a chapter on computational approaches to the design of safer drugs and their molecular properties, and a systematic conceptual study on a route which allows one to stuff fullerenes.
