Download or read book Dynamics of the Excited State written by K. P. Lawley and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Activation of Small Molecules written by William B. Tolman and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first to combine both the bioinorganic and the organometallic view, this handbook provides all the necessary knowledge in one convenient volume. Alongside a look at CO2 and N2 reduction, the authors discuss O2, NO and N2O binding and reduction, activation of H2 and the oxidation catalysis of O2. Edited by the highly renowned William Tolman, who has won several awards for his research in the field.
Download or read book The State resolved Photochemistry of Small Molecules on Their Ground and Electronic Excited States written by Rhett James Barnes and published by . This book was released on 1999 with total page 1010 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory of Unimolecular Reactions written by Wendell Forst and published by Elsevier. This book was released on 2012-12-02 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theory of Unimolecular Reactions provides a comprehensive analysis of the theory of unimolecular reactions, also known to kineticists as the Rice-Marcus or the Rice-Ramsperger-Kassel-Marcus theory, and to those working in mass spectrometry and related fields as the quasi-equilibrium theory or the theory of mass spectra. This book demonstrates how theoretical parameters are related to experimental observables and describes the methods that are used to obtain useful numerical answers. This monograph consists of 11 chapters and begins by explaining the derivation of the expression for the basic rate k(E), with emphasis on the unimolecular rate constant, intramolecular energy transfer, and potential energy surfaces in unimolecular reactions. The statistical calculation of unimolecular rate under vibrational potential is also given, along with pertinent degrees of freedom. The remaining chapters explore the energy distribution functions appropriate to each system, the averaging of k(E), and the relations between theoretical and experimental parameters. Thermal reactions, chemical activation systems, and the theory of mass spectra are examined. The last chapter is devoted to the transition state and its ambiguities. This text will be of interest to gas kineticists, mass spectrometrists, and students and researchers working in the field of physical chemistry.
Download or read book Chemical and Biological Generation of Excited States written by Waldermar Adam and published by Elsevier. This book was released on 2012-12-02 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical and Biological Generation of Excited States discusses major aspects of chemical and biological generation of electronic excitation. This book is organized into 11 chapters that focus on both chemi- and bioenergized processes. This book first discusses some of the fundamental aspects of the description of excited state behavior in condensed media. It then examines the field of gas-phase dioxetane chemiluminescence both by itself and in relation to solution-phase studies. The presented analysis is based on statistical mechanics and supported by a very simple limiting case calculation. Chapter 4 describes the state-of-the-art of how excitation yields are determined experimentally in chemienergized processes. This is followed by a discussion on activation parameters and stability trends, focusing on solution-phase data. Chapters 6 and 7 examine solution-phase chemiluminescence resulting from high-energy electron-transfer reaction, often involving aromatic radical ions, and the mechanism of excitation step. The next chapters cover the generation of electronic excited states in bioluminescence and the evaluation of luminescent oxidation mechanisms using oxygen tracers. The chapters also explain the formation of electronically excited products in dark biological processes and the mechanism of chemiexcitation as it relates to redox metabolism. Specific examples of biological oxygenation reactions yielding luminescence are also presented. Furthermore, this book discusses the concept and applicability of chemiluminigenic probing for the quantification and differentiation of oxygenation activities in mammalian phagocytes. The concluding chapter is devoted to the possible formation of singlet oxygen in various systems and processes that mimic singlet oxygen reactions. The book intends to attract young scientists as well as established research workers to broaden the horizons of this rapidly growing and potentially very important field.
Download or read book Gas Kinetics and Energy Transfer written by P. G. Ashmore and published by Royal Society of Chemistry. This book was released on 1977-01-01 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.
Download or read book State Selected and State to State Ion Molecule Reaction Dynamics Volume 82 Part 1 written by Cheuk-Yiu Ng and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: State-Selected and State-to-State Ion-Molecules Reaction Dynamics details the recent experimental and theoretical accomplishments in the field to date by some of its foremost researchers and theorists. Divided into two parts, each of which separately describe the experimental and theoretical aspects of the field, State-Selected and State-to-State Ion-Molecule Reaction Dynamics is an accessible, well organized look at a highly useful and emerging chemical specialty. Part 1, "Experiment," contains eight in-depth studies, which illustrate the key experimental work being done in the field today: Chapter 1 provide a comprehensive review of the theory and application of inhomogeneous rf fields for the study of the dynamics of low-energy ion-molecules processes Chapter 2 describes the application of multiphoton ionization (MPI) for the preparation of reactant ion states Chapter 3 reviews the application of MPI schemes for state specific cross-section measurements involving transition metal cations Chapter 4 describes the development of the threshold photoelectron secondary ion coincidence (TESICO) method Chapter 5 presents the conceptual and practical aspects of a multicoincidence technique Chapter 6 details the experimental results obtained using the photoionization and differential reactivity methods Chapter 7 reviews the several recent crossed beam studies of charge transfer and collision-induced dissociation systems involving atomic and molecular ions Chapter 8 is a survey of 15 years of high resolution crossed beam scattering of protons with atoms, diatoms, and poly-atomic molecules State-Selected and State-to-State Ion-Molecule Reaction Dynamics, Part 1: Experiment offers professionals a true state-of-the-science look at this fascinating and increasingly influential subject.
Download or read book Supercomputer Algorithms for Reactivity Dynamics and Kinetics of Small Molecules written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of a few elementary processes. However, the accurate characterization of a reactive process, even for small systems, is so demanding in terms of computer resources to make the use of supercomputers having vector and parallel features unavoidable. Sometimes to take full advantage from these features all is needed is a restructure of those parts of the computer code which perform vector and matrix manipulations and a parallel execution of its independent tasks. More often, a deeper restructure has to be carried out. This may involve the problem of choosing a suitable computational strategy or the more radical alternative of changing the theoretical treatment. There are cases, in fact, where theoretical approaches found to be inefficient on a scalar computer exhibit their full computational strength on a supercomputer.
Download or read book Photochemistry of Small Molecules written by Hideo Okabe and published by John Wiley & Sons. This book was released on 1978 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Tutorials in Molecular Reaction Dynamics written by Mark Brouard and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.
Download or read book Solar Energy Update written by and published by . This book was released on 1985 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Bibliography of Mass Spectroscopy Literature for 1970 written by and published by . This book was released on 1972 with total page 900 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Analysis and Control of Ultrafast Photoinduced Reactions written by Oliver Kühn and published by Springer Science & Business Media. This book was released on 2007-02-05 with total page 855 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes several years of research carried out by a collaboration of many groups on ultrafast photochemical reactions. It emphasizes the analysis and characterization of the nuclear dynamics within molecular systems in various environments induced by optical excitations and the study of the resulting molecular dynamics by further interaction with an optical field.
Download or read book Solvent Effects and Chemical Reactivity written by Orlando Tapia and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1992 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Small Molecule Drug Discovery written by Andrea Trabocchi and published by Elsevier. This book was released on 2019-11-23 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small Molecule Drug Discovery: Methods, Molecules and Applications presents the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases. The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology. - Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery - Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics - Presents the most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches - Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules
Download or read book Chemical Demonstrations written by Bassam Z. Shakhashiri and published by Univ of Wisconsin Press. This book was released on 1983 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describes and gives instructions for lecture demonstrations covering acids and bases and liquids, solutions, and colloids.
