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1
Bleszynski, Roland F. Study of the effects of fly ash on alkali-silica reaction in concrete. Ottawa: National Library of Canada, 1997.
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2
OECD Nuclear Energy Agency. Working Party on Physics of Plutonium Recycling. Physics of plutonium recycling. Paris, France: Nuclear Energy Agency, Organisation for Economic Co-operation and Development, 1995.
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3
Dooley, M. A. Rat phantom depth dose studies in electron, X-ray, gamma-ray, and reactor radiation fields. Bethesda, Md: Defense Nuclear Agency, Armed Forces Radiobiology Research Institute, 1986.
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4
Davies, D. G. Inorganic reactions at Advanced Level: (a student guide for laboratory exercises in observation and deduction). London: Bell & Hyman, 1986.
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5
Kelly, T. V. G. 1937-, ed. Inorganic reactions at advanced level: (a student guide for laboratory exercises in observation and deduction). London: Collins Educational, 1991.
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6
International Colloquium on the Dynamics of Explosions and Reactive Systems (16th 1997 University of Mining and Metallurgy). Conference proceedings: 16th International Colloquium on the Dynamics of Explosions and Reactive Systems, August 3-8, 1997, University of Mining and Metallurgy, AGH, Cracow, Poland. Kraków: Wydawn. "Akapit", 1997.
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7
Garshin, Anatoliy. General and inorganic chemistry in diagrams, figures, tables, and chemical reactions. ru: INFRA-M Academic Publishing LLC., 2020. http://dx.doi.org/10.12737/1070937.
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The textbook in the form of definitions, drawings, diagrams, tables, formulas and chemical reactions outlines the main provisions of General and inorganic chemistry.
It is intended for students of non-chemical specialties of higher education institutions. It can be used by students of secondary vocational schools of chemical and medical-biological profiles, secondary school teachers, applicants, foreign students studying in Russian technical universities and natural science faculties of universities, as well as in the system of pre-University training of foreign students. Each Chapter of the manual contains questions for self-control of the knowledge received by the student and checking the depth of assimilation of the studied material.
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Sōgō Shigen Enerugī Chōsakai (Japan). Genshiryoku Anzen Hoan Bukai. Haikibutsu Anzen Shōiinkai. Uran toriatsukai shisetsu ni okeru kuriaransu seido no seibi ni tsuite. [Tokyo]: Sōgō Shigen Enerugī Chōsakai Genshiryoku Anzen Hoan Bukai Haikibutsu Anzen Shōiinkai, 2010.
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9
IAEA Technical Meeting on Fissile Material Management Strategies for Sustainable Nuclear Energy (2005 Vienna, Austria). Fissile material management strategies for sustainable nuclear energy: Proceedings of an IAEA Technical Meeting on Fissile Material Management Strategies for Sustainable Nuclear Energy, held in Vienna, 12-15 September 2005. Vienna, Austria: International Atomic Energy Agency, 2007.
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10
Shehata, Medhat H. The effects of fly ash and silica fume on alkali silica reaction in concrete. 2001.
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11
Succi, Sauro. Lattice Boltzmann for reactive flows. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780199592357.003.0026.
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The dynamics of reactive flows lies at the heart of several important applications, such as combustion, heterogeneous catalysis, pollutant conversion, pattern formation in biology and many others. In general, LB is well suited to describe reaction-diffusion applications with flowing species. This chapter provides the basic guidelines to include reactive phenomena within the LBE formalism. Reactive flows obey the usual fluid equations, augmented with a reactive source term, accounting for species transformations due to chemical reactions. Such term comes typically in the form of a polynomial product of the mass densities of the reacting species.
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Introduction to Condensed-Phase Dynamics. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0009.
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This chapter discusses chemical reactions in solution; first, how solvents modify the potential energy surface of the reacting molecules and second, the role of diffusion. As a first approximation, solvent effects are described by models where the solvent is represented by a dielectric continuum, focusing on the Onsager reaction-field model for solvation of polar molecules. The reactants of bimolecular reactions are brought into contact by diffusion, and the interplay between diffusion and chemical reaction that determines the overall reaction rate is described. The solution to Fick’s second law of diffusion, including a term describing bimolecular reaction, is discussed. The limits of diffusion control and activation control, respectively, are identified. It concludes with a stochastic description of diffusion and chemical reaction based on the Fokker–Planck equation, which includes the diffusion of particles interacting via a potential U(r).
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Bimolecular Reactions, Dynamics of Collisions. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0004.
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This chapter discusses the dynamics of bimolecular collisions within the framework of (quasi-)classical mechanics as well as quantum mechanics. The relation between the cross-section and the reaction probability, which can be calculated theoretically from a (quasi-)classical or quantum mechanical description of the collision, is described in terms of classical trajectories and wave packets, respectively. As an introduction to reactive scattering, classical two-body scattering is described and used to formulate simple models for chemical reactions, based on reasonable assumptions for the reaction probability. Three-body (and many-body) quasi-classical scattering is formulated and the numerical evaluation of the reaction probability is described. The relation between scattering angles and differential cross-sections in various frames is emphasized. The chapter concludes with a brief description of non-adiabatic dynamics, that is, situations beyond the Born–Oppenheimer approximation where more than one electronic state is in play. A discussion of the so-called Landau–Zener model is included.
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. From Microscopic to Macroscopic Descriptions. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0002.
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This chapter discusses bimolecular reactions from both a microscopic and macroscopic point of view. The outcome of an isolated reactive scattering event can be specified in terms of an intrinsic fundamental quantity, the reaction cross-section that can be measured in a molecular beam experiment. It depends on the quantum states of the molecules as well as the relative velocity of reactants and products. The relation between the cross-section and the macroscopic rate constant is derived. The rate constant is a weighted average of the product between the relative speed of the reactants and the reaction cross-section. The chapter concludes with the special case of thermal equilibrium, where the velocity distributions for the molecules are the Maxwell–Boltzmann distribution. The expression for the rate constant at temperature T is reduced to a one-dimensional integral over the relative speed of the reactants.
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Ferner, Robin, and Anthony Cox. Drug-induced neurological disease. Edited by Patrick Davey and David Sprigings. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780199568741.003.0240.
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An adverse drug reaction is defined as ‘an appreciably harmful or unpleasant reaction, resulting from an intervention related to the use of a medicinal product; adverse effects usually predict hazard from future administration and warrant prevention, or specific treatment, or alteration of the dosage regimen, or withdrawal of the product’ (p. 1255, Edwards IR and Aronson JK. Adverse drug reactions: Definitions, diagnosis, and management. Lancet 2000; 356: 1255–9). Adverse drug reactions can cause or contribute to central and peripheral nervous system disorders, including traumatic, infective, neoplastic, demyelinating, and vascular diseases.
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Misbah, Siraj. Suspected anaphylaxis. Edited by Patrick Davey and David Sprigings. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780199568741.003.0075.
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A type I IgE-mediated systemic allergic reaction is characterized by a constellation of symptoms which are due to widespread histamine release and which comprise acute-onset urticaria, angioedema, bronchospasm, and hypotension. While a mild reaction may be limited to localized urticaria and/or angioedema, a full-blown allergic reaction associated with systemic features is best described as anaphylaxis. The term ‘anaphylactoid’, previously used to denote non-IgE-mediated systemic allergic reactions, is no longer recommended for use.
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Henriksen, Niels E., and Flemming Y. Hansen. Theories of Molecular Reaction Dynamics. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.001.0001.
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This book deals with a central topic at the interface of chemistry and physics—the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bimolecular elementary reactions are described. The first part of the book is on gas-phase dynamics and it features a detailed presentation of reaction cross-sections and their relation to a quasi-classical as well as a quantum mechanical description of the reaction dynamics on a potential energy surface. Direct approaches to the calculation of the rate constant that bypasses the detailed state-to-state reaction cross-sections are presented, including transition-state theory, which plays an important role in practice. The second part gives a comprehensive discussion of basic theories of reaction dynamics in condensed phases, including Kramers and Grote–Hynes theory for dynamical solvent effects. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The book has ten appendices with useful details, for example, on adiabatic and non-adiabatic electron-nuclear dynamics, statistical mechanics including the Boltzmann distribution, quantum mechanics, stochastic dynamics and various coordinate transformations including normal-mode and Jacobi coordinates.
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Sherwood, Dennis, and Paul Dalby. Acids, bases and buffer solutions. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198782957.003.0017.
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Many reactions in solution involve acids and bases, and so this chapter examines these important reactions in detail. Topics covered include the ionisation of water, pH, pOH, acids and bases, conjugate acids and conjugate bases, acid and base dissociation constants, the Henderson-Hasselbalch equation, the Henderson-Hasselbalch approximation, buffer solutions and buffer capacity. A unique feature of this chapter is a ‘first principles’ analysis of how a reaction buffered at a particular pH achieves an equilibrium composition different from that of the same reaction taking place in an unbuffered solution. This introduces some concepts which are important in understanding the biochemical standard state, as required for Chapter 23.
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Griep, Mark A., and Marjorie L. Mikasen. ReAction! Oxford University Press, 2009. http://dx.doi.org/10.1093/oso/9780195326925.001.0001.
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ReAction! gives a scientist's and artist's response to the dark and bright sides of chemistry found in 140 films, most of them contemporary Hollywood feature films but also a few documentaries, shorts, silents, and international films. Even though there are some examples of screen chemistry between the actors and of behind-the-scenes special effects, this book is really about the chemistry when it is part of the narrative. It is about the dualities of Dr. Jekyll vs. inventor chemists, the invisible man vs. forensic chemists, chemical weapons vs. classroom chemistry, chemical companies that knowingly pollute the environment vs. altruistic research chemists trying to make the world a better place to live, and, finally, about people who choose to experiment with mind-altering drugs vs. the drug discovery process. Little did Jekyll know when he brought the Hyde formula to his lips that his personality split would provide the central metaphor that would come to describe chemistry in the movies. This book explores the two movie faces of this supposedly neutral science. Watching films with chemical eyes, Dr. Jekyll is recast as a chemist engaged in psychopharmaceutical research but who becomes addicted to his own formula. He is balanced by the often wacky inventor chemists who make their discoveries by trial-and-error.
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Unimolecular Reactions. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0007.
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This chapter considers unimolecular reactions; photo-induced reactions, that is, true unimolecular reactions; and reactions initiated by collisional activation, that is, apparent unimolecular reactions where it is assumed that the time scales for activation and subsequent reaction are well separated. Elements of classical and quantum dynamical descriptions are discussed, including Slater theory and the quantum mechanical description of photo-induced reactions. Statistical theories aiming at the calculation of micro-canonical as well as canonical rate constants are discussed, including a detailed discussion of RRKM theory. It concludes with a discussion of femtochemistry, that is, the observation and control of chemical dynamics using femtosecond pulses of electromagnetic radiation, focusing on the control of unimolecular reactions via the interaction with coherent light; that is, laser control.
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Sherwood, Dennis, and Paul Dalby. Electrochemistry. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198782957.003.0020.
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This chapter explores electrochemistry, from the fundamental observations associated with the Daniel Cell to redox reactions and the Nernst equation. As throughout the book, all the discussions are based on rigorous first principles, with each step carefully explained, and deduced logically from previous material. Topics covered include electrodes and electrode potentials, half-cells and half-cell reactions, electrochemical cells, the electromotive force, standard reversible electrode potentials, oxidising and reducing agents, redox reactions, and the half-cell Nernst equation, and the full reaction Nernst equation.
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Hudlic'ky, Milos. Fluorine Chemistry for Organic Chemists. Oxford University Press, 2000. http://dx.doi.org/10.1093/oso/9780195131567.001.0001.
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This book is a synthesis of two of Hudlicky's earlier books outlining the many unpredictable properties of fluorine and its compounds that are not analogous to the properties of any other halogens and their compounds. It is divided into two separate sections, the first presenting peculiar reactions as problems to be solved. Each reaction can be analyzed in the lab without the help of the second section, however if a solution is not easily reached, the second section provides discussion of the problems, outlining the products of the reactions and their mechanisms. Among the 105 reactions outlined are the introduction of fluorine into organic molecules, reduction and oxidation of fluorine compounds, reactions of fluorocompounds with halogens and their derivatives, nitration, acid catalyzed reactions, organometallic syntheses, and pyrolyses. The reactions are documented in the experimental material of the earlier volumes and will be important background knowledge for anyone working in organic chemistry.
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Doraiswamy, L. K. Organic Synthesis Engineering. Oxford University Press, 2001. http://dx.doi.org/10.1093/oso/9780195096897.001.0001.
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This book will formally launch "organic synthesis engineering" as a distinctive field in the armory of the reaction engineer. Its main theme revolves around two developments: catalysis and the role of process intensification in enhancing overall productivity. Each of these two subjects are becoming increasingly useful in organic synthesis engineering, especially in the production of medium and small volume chemicals and enhancing reaction rates by extending laboratory techniques, such as ultrasound, phase transfer catalysts, membrane reactor, and microwaves, to industrial scale production. This volume describes the applications of catalysis in organic synthesis and outlines different techniques of reaction rate and/or selectivity enhancement against a background of reaction engineering principles for both homogeneous and heterogeneous systems.
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Bernstein, Elliot R., ed. Chemical Reactions in Clusters. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195090048.001.0001.
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This book covers important new developments of the last five years in the area of cluster chemistry, presenting an excellent view of the successes and shortcomings of both current state-of-the-art theory and experiment. Each chapter, contributed by a leading expert, places heavy emphasis on theory without which the detailed analysis of the spectroscopic and kinetic results would be compromised. The cluster reactions reviewed in this work include electron and proton transfer reactions, hot atom reactions, vibrational predissociation, radical reactions, and ionic reactions. Some of the theories applied throughout the text are product state distribution determinations, state-to-state dynamical information, and access to the transition stage of the reaction. The discussions serve as a benchmark of how far the field has come since the mid 1980's and will be a good update for students and researchers interested in this area of physical chemistry.
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Baer, Tomas, and William L. Hase. Unimolecular Reaction Dynamics. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195074949.001.0001.
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This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Dynamic Solvent Effects: Kramers Theory and Beyond. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0011.
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This chapter discusses dynamical solvent effects on the rate constants for chemical reactions in solution. The effect is described by stochastic dynamics, where the influence of the solvent on the reaction dynamics is included by describing the motion along the reaction coordinate as Brownian motion. Two theoretical approaches are discussed: Kramers theory with a constant time-independent solvent friction coefficient and Grote–Hynes theory, a generalization of Kramers theory, based on the generalized Langevin equation with a time-dependent solvent friction coefficient. The expressions for the rate constants have the same form as in transition-state theory, but are multiplied by transmission coefficients that incorporate the dynamical solvent effect. In the limit of fast motion along the reaction coordinate, the solvent molecules can be considered as “frozen,” and the predictions of the Grote–Hynes theory can differ from the Kramers theory by several orders of magnitude.
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Atkins, Peter. Reactions. Oxford University Press, 2011. http://dx.doi.org/10.1093/oso/9780199695126.001.0001.
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Illustrated with remarkable new full-color images--indeed, one or more on every page--and written by one of the world's leading authorities on the subject, Reactions offers a compact, pain-free tour of the inner workings of chemistry. Reactions begins with the chemical formula almost everyone knows--the formula for water, H2O--a molecule with an "almost laughably simple chemical composition." But Atkins shows that water is also rather miraculous--it is the only substance whose solid form is less dense than its liquid (hence ice floats in water)--and incredibly central to many chemical reactions, as it is an excellent solvent, being able to dissolve gases and many solids. Moreover, Atkins tells us that water is actually chemically aggressive, and can react with and destroy the compounds dissolved in it, and he shows us what happens at the molecular level when water turns to ice--and when it melts. Moving beyond water, Atkins slowly builds up a toolkit of basic chemical processes, including precipitation (perhaps the simplest of all chemical reactions), combustion, reduction, corrosion, electrolysis, and catalysis. He then shows how these fundamental tools can be brought together in more complex processes such as photosynthesis, radical polymerization, vision, enzyme control, and synthesis. Peter Atkins is the world-renowned author of numerous best-selling chemistry textbooks for students. In this crystal-clear, attractively illustrated, and insightful volume, he provides a fantastic introductory tour--in just a few hundred colorful and lively pages - for anyone with a passing or serious interest in chemistry.
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Tutino, Stefania. The Roman Reaction. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780190694098.003.0006.
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During the central decades of the seventeenth century, Caramuel’s understanding of probabilism was the object of both acute interest and widespread, and at times violent, criticism. As a result, the Congregation of the Index of Prohibited Book and the Holy Office decided to examine and eventually censure two of Caramuel’s most influential works. Through an analysis of the lengthy process leading to the censure and correction of these books, this chapter examines the theological, intellectual, moral, and political issues at stake in the debate over Caramuel’s doctrine and explores the complex and ambivalent way in which the institutional and theological center of the Catholic Church responded to probabilism.
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Bimolecular Reactions, Transition-State Theory. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0006.
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This chapter discusses an approximate approach—transition-state theory—to the calculation of rate constants for bimolecular reactions. A reaction coordinate is identified from a normal-mode coordinate analysis of the activated complex, that is, the supermolecule on the saddle-point of the potential energy surface. Motion along this coordinate is treated by classical mechanics and recrossings of the saddle point from the product to the reactant side are neglected, leading to the result of conventional transition-state theory expressed in terms of relevant partition functions. Various alternative derivations are presented. Corrections that incorporate quantum mechanical tunnelling along the reaction coordinate are described. Tunnelling through an Eckart barrier is discussed and the approximate Wigner tunnelling correction factor is derived in the limit of a small degree of tunnelling. It concludes with applications of transition-state theory to, for example, the F + H2 reaction, and comparisons with results based on quasi-classical mechanics as well as exact quantum mechanics.
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Hopkins, Philip M. Adverse drug reactions in anaesthesia. Edited by Michel M. R. F. Struys. Oxford University Press, 2017. http://dx.doi.org/10.1093/med/9780199642045.003.0022.
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Adverse drug reactions are implicated in more than 40% of anaesthesia-related deaths. Undoubtedly, many more patients experience morbidity from adverse drug reactions. Widely cited definitions of adverse drug reactions encompass common side-effects but this chapter focuses on those that are unexpected reactions to drugs administered by anaesthetists and that occur at normal drug doses. The chapter includes a comprehensive account of malignant hyperthermia, which remains a major contributor to anaesthesia related to deaths. Malignant hyperthermia is a pharmacogenetic condition triggered by potent inhalational anaesthetics and possibly also suxamethonium. The genetic basis, pathophysiology, clinical presentations, and management of malignant hyperthermia are discussed. The chapter covers two other pharmacogenetic conditions: the acute porphyrias and butyrylcholinesterase (plasma cholinesterase) deficiency. Drug-induced anaphylaxis is another cause of perioperative morbidity and mortality. Recent data indicate that anaphylaxis during anaesthesia may be much more common than previously thought. The other type of adverse drug reaction covered in the chapter is serotonin syndrome. Perioperative serotonin syndrome is most likely to occur when patients who are already taking serotonergic drugs, such as selective serotonin reuptake inhibitor antidepressants or ‘triptan’ antimigraine treatments, are given a second drug with serotonergic properties, such as tramadol.
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Atherstone, Andrew. Protestant Reactions. Edited by Stewart J. Brown, Peter Nockles, and James Pereiro. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199580187.013.12.
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Protestantism was a major rallying cry during the Tractarian controversies. It was anathematized by some Oxford Movement radicals as a ‘heresy’, and held tenaciously by evangelical campaigners as ‘the pure Gospel of Christ’. Protestant polemicists decried Tractarianism as a revival of Roman Catholicism in an Anglican disguise and called their brothers-in-arms to fight the theological battles of the Reformation over again. Focusing on the events in Oxford itself between 1838 and 1846, this chapter surveys the rhetoric which surrounded three overlapping themes—Protestant Reformers, Protestant Formularies, and Protestant Truth. It shows how these loomed large in the speeches and writings of those who wanted to defend the Protestant hegemony of the Church of England and the University of Oxford.
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Adam, Sheila, Sue Osborne, and John Welch. The immune system and the immunocompromised patient. Oxford University Press, 2017. http://dx.doi.org/10.1093/med/9780199696260.003.0013.
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This chapter discusses the physiology of the immune system and its related disorders in the critically ill patient. The causes, complications, and management of the immunocompromised patient is discussed at length, detailing the specific nursing management. It also discusses the management of autoimmune disease such as Wegener's granulomatosis and rheumatoid arthritis, and hypersensitivity reactions such as drug allergy and anaphylactic reaction. Cancer is explained in detail, including its complications, specific therapies such as stem cell transplant, and the role of the cancer patient within critical care.
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Williams, J., RA Hook, and HL Gascoigne, eds. Farming Action: Catchment Reaction. CSIRO Publishing, 1998. http://dx.doi.org/10.1071/9780643104990.
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Dryland farming is a major export earner for many temperate-zone countries, yet it continues to degrade a country's natural resources. Effects are not restricted to the land - changes in water quality can reduce the potential uses of water and bring about catastrophic changes in both freshwater and coastal ecosystems.
Farming Action: Catchment Reaction provides a comprehensive technical overview of the relationships between dryland farming systems and catchment land and water quality in Australia, and integrates it in a whole system framework. It deals with the issues in terms of people, pointers, processes and prediction as it discusses social aspects of developing and implementing research to improve dryland farming systems in catchment management programs, indicators of catchment health, and the processes which determine the impact of the farming action on the catchment response. It concludes by considering the adequacy of our ability to use this process knowledge in models to predict the effect of dryland farming on catchment condition.
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Fox, Raymond. The Use of Self. Oxford University Press, 2011. http://dx.doi.org/10.1093/oso/9780190616144.001.0001.
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This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic potential functions using NNs; (v) self-starting methods for obtaining analytic PES from ab inito electronic structure calculations using direct dynamics; (vi) development of a novel method, namely, combined function derivative approximation (CFDA) for simultaneous fitting of a PES and its corresponding force fields using feedforward neural networks; (vii) development of generalized PES using many-body expansions, NNs, and moiety energy approximations; (viii) NN methods for data analysis, reaction probabilities, and statistical error reduction in chemical reaction dynamics; (ix) accurate prediction of higher-level electronic structure energies (e.g. MP4 or higher) for large databases using NNs, lower-level (Hartree-Fock) energies, and small subsets of the higher-energy database; and finally (x) illustrative examples of NN applications to chemical reaction dynamics of increasing complexity starting from simple near equilibrium structures (vibrational state studies) to more complex non-adiabatic reactions. The monograph is prepared by an interdisciplinary group of researchers working as a team for nearly two decades at Oklahoma State University, Stillwater, OK with expertise in gas phase reaction dynamics; neural networks; various aspects of MD and Monte Carlo (MC) simulations of nanometric cutting, tribology, and material properties at nanoscale; scaling laws from atomistic to continuum; and neural networks applications to chemical reaction dynamics. It is anticipated that this emerging field of NN in chemical reaction dynamics will play an increasingly important role in MD, MC, and quantum mechanical studies in the years to come.
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Raff, Lionel, Ranga Komanduri, Martin Hagan, and Satish Bukkapatnam. Neural Networks in Chemical Reaction Dynamics. Oxford University Press, 2012. http://dx.doi.org/10.1093/oso/9780199765652.001.0001.
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This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic potential functions using NNs; (v) self-starting methods for obtaining analytic PES from ab inito electronic structure calculations using direct dynamics; (vi) development of a novel method, namely, combined function derivative approximation (CFDA) for simultaneous fitting of a PES and its corresponding force fields using feedforward neural networks; (vii) development of generalized PES using many-body expansions, NNs, and moiety energy approximations; (viii) NN methods for data analysis, reaction probabilities, and statistical error reduction in chemical reaction dynamics; (ix) accurate prediction of higher-level electronic structure energies (e.g. MP4 or higher) for large databases using NNs, lower-level (Hartree-Fock) energies, and small subsets of the higher-energy database; and finally (x) illustrative examples of NN applications to chemical reaction dynamics of increasing complexity starting from simple near equilibrium structures (vibrational state studies) to more complex non-adiabatic reactions. The monograph is prepared by an interdisciplinary group of researchers working as a team for nearly two decades at Oklahoma State University, Stillwater, OK with expertise in gas phase reaction dynamics; neural networks; various aspects of MD and Monte Carlo (MC) simulations of nanometric cutting, tribology, and material properties at nanoscale; scaling laws from atomistic to continuum; and neural networks applications to chemical reaction dynamics. It is anticipated that this emerging field of NN in chemical reaction dynamics will play an increasingly important role in MD, MC, and quantum mechanical studies in the years to come.
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Anne, Lagerwall. Part 3 The Post 9/11-Era (2001–), 62 Threats of and Actual Military Strikes Against Syria—2013 and 2017. Oxford University Press, 2018. http://dx.doi.org/10.1093/law/9780198784357.003.0062.
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This chapter examines the threats of military intervention expressed by the United States, the United Kingdom and France in reaction to the use of chemical weapons during an attack in the Ghouta area of Damascus in 2013 as well as the military strikes launched by the United States following the use of chemical weapons during an attack in the Khan Sheikhun area of Southern Idlib in 2017. After recalling the facts and context of the Syrian crisis, it studies the legal positions of the main protagonists (the United States, the United Kingdom and France) and the reactions of third States and international organisations. The final section analyses the envisaged and actual intervention’s precedential value and its impact on the jus ad bellum. It argues that targeting the military assets of a sovereign State as a reaction to violations of international law that this State has supposedly committed is far from being unanimously accepted from a legal point of view.
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Schmidt, Susanne K. Europeanization With and Against the Odds. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198717775.003.0006.
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The extent to which member states still enjoy the autonomy to regulate their society and economy ultimately depends on the way the Court interprets the constraints of the Treaty. As a consequence, the domestic impact of the EU goes beyond the implementation of European secondary law, which Europeanization research focuses on. European case law should take immediate effect in the member states, but the literature in this area expects member states to contain compliance. Chapter 6 contrasts two case studies for markedly different member-state reactions to case law: the German reaction to the Meilicke tax cases and the Irish reaction to the Zambrano case. While the Meilicke case confirms that case law does not generally have a direct impact at the member-state level, the implementation of the Zambrano case by Ireland and other member states shows that member states also implement EU case law in a rule-of-law fashion.
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Hitlin, Steven, and Sarah K. Harkness. The Theory of Inequality and Moral Emotions. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780190465407.003.0006.
Full textAbstract:
This chapter brings together the strands of theory and research discussed previously to introduce our theory on inequality and morality. The general argument is that in societies with greater economic inequality, the negative sanctioning-based moral emotions of anger, contempt, disgust, shame, and the like will be more frequent and severe. Societies with lower levels of inequality will conversely normalize and exhibit the more positive moral emotions of self-transcendence (compassion, praise, and empathy). Inequality thus begets negative moral emotions. These various emotional reactions to moral events not only affect everyday interaction, but also overlap with criminal justice systems’ reactions to those who offend societies’ moral codes. The more negative the moral reaction in a society, the more likely events are to prompt feelings associated with condemning others, the more the criminal justice system will be similarly focused on sanctioning as opposed to rehabilitation.
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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Microscopic Interpretation of Arrhenius Parameters. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0008.
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This chapter reviews the microscopic interpretation of the pre-exponential factor and the activation energy in rate constant expressions of the Arrhenius form. The pre-exponential factor of apparent unimolecular reactions is, roughly, expected to be of the order of a vibrational frequency, whereas the pre-exponential factor of bimolecular reactions, roughly, is related to the number of collisions per unit time and per unit volume. The activation energy of an elementary reaction can be interpreted as the average energy of the molecules that react minus the average energy of the reactants. Specializing to conventional transition-state theory, the activation energy is related to the classical barrier height of the potential energy surface plus the difference in zero-point energies and average internal energies between the activated complex and the reactants. When quantum tunnelling is included in transition-state theory, the activation energy is reduced, compared to the interpretation given in conventional transition-state theory.
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Alexandra, Hofer. Part 1 The Cold War Era (1945–89), 4 The Suez Crisis—1956. Oxford University Press, 2018. http://dx.doi.org/10.1093/law/9780198784357.003.0004.
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This chapter examines the intervention led by France, the United Kingdom and Israel against Egypt in 1956. After recalling the facts of the Suez Canal Crisis, it examines the legal positions of the main protagonists (Israel, France, the United Kingdom and Egypt) and the reactions of United Nations member states. The intervention’s legality is then assessed against the international legal framework governing the use of force as it stood in 1956. The final section analyses the intervention’s precedential value and its impact on the jus ad bellum. It is argued that if the intervention initially undermined the United Nations, the forceful reaction of UN member states affirmed the importance of the UN Organization and its principles.
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Briggs, Andrew, Hans Halvorson, and Andrew Steane. On the way. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198808282.003.0009.
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In this the second of the three autobiographical chapters, Andrew Steane (A.S.) recounts some of his experiences. He describes a life at a crossing-point of conservative and liberal forms of Christian witness, and conscious of both modern-day atheist and theist values and points of view. This has been difficult but, hopefully, creative. A.S. describes his reading of Bertrand Russell as a young man, and of later being waylaid by Richard Dawkins’ The God Delusion. He gives brief reactions and asks what the reaction to such books shows us about contemporary culture. More penetrating authors have been Rowan Williams, R. S. Thomas, Brian McLaren, and N. T. Wright. A.S. describes aspects of Christian community life that have proved positive and significant for him.
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Puntis, John. Food allergy. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780198759928.003.0019.
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Food allergy is an immune response to food that can be classified as immunoglobulin (Ig)-E and non-IgE mediated. Milk, egg, peanut, tree nuts, and fish are among the most prevalent causes of food allergy. Mild reactions can include itchy rash, watering eyes, and nasal congestion while a severe reaction results in anaphylaxis. A detailed clinical history is essential when making a diagnosis, and skin prick testing and quantitative measurement of food-specific IgE antibodies can be helpful. Cow milk protein allergy causes a plethora of symptoms and frequently resolves spontaneously over the first 2 years of life; diagnosis is based mainly on clinical history. Food challenges have a pivotal role in the diagnosis of food allergy. Introduction of ‘allergic’ foods at 3–6 months alongside continuing breastfeeding may prevent allergy.
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Jordan, Robert B. Reaction Mechanisms of Inorganic and Organometallic Systems. Oxford University Press, 2007. http://dx.doi.org/10.1093/oso/9780195301007.001.0001.
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This third edition retains the general level and scope of earlier editions, but has been substantially updated with over 900 new references covering the literature through 2005, and 140 more pages of text than the previous edition. In addition to the general updating of materials, there is new or greatly expanded coverage of topics such as Curtin-Hammett conditions, pressure effects, metal hydrides and asymmetric hydrogenation catalysts, the inverted electron-transfer region, intervalence electron transfer, photochemistry of metal carbonyls, methyl transferase and nitric oxide synthase. The new chapter on heterogeneous systems introduces the basic background to this industrially important area. The emphasis is on inorganic examples of gas/liquid and gas/liquid/solid systems and methods of determining heterogeneity.
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Richebé, Philippe, and Cyril Rivat. The effects of morphine on the CNS. Edited by Paul Farquhar-Smith, Pierre Beaulieu, and Sian Jagger. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780198834359.003.0017.
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The 1973 paper by Jacquet and Lajtha, was a pivotal report in understanding the effects of opioids on nociception, as it investigated the effects of morphine on different brain structures. To do this, the authors used a microinjection technique that allowed them to specifically target subcortical sites. The animals used in this study were rats, and evaluation of the nociceptive threshold was based on the behavioural reaction to electrical shock. Two reactions were evaluated: flinch or jump responses. The main result was that, depending on the dose and the site of injection, morphine produced either an increase in nociceptive threshold (analgesia), or a decrease in the nociceptive threshold (hyperalgesia). The authors also reported severe effects characterized by hyper-reactivity and violent uncontrolled jumping in stereotyped circular leaps when morphine was administered in the periaqueductal grey matter.
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Patton, Raymond A. 1989: Conclusion and Epilogue. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780190872359.003.0009.
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The conclusion condenses the book’s argument that punk developed through networks that crossed all three worlds through intertwined phenomena of immigration, postmodernism, and globalization; that punks and societies’ reactions to it defied and subverted the fundamental assumptions and categories of the Cold War era; and that punk provoked a realignment away from sociopolitical, ideological categories and toward a new framework emphasizing identities as conservatives and progressives. It briefly examines the post-1989 punk scenes of the East and West; many punks felt as dissatisfied with the global neoliberal order as they were with the Cold War world and often joined the new antiglobalization movements of the East and West. It concludes with the example of Pussy Riot in Russia, which shows that punk retained its power to consolidate forces of reaction (Putin, the Orthodox Church, and conservative public opinion) and cultural progressives alike long after the end of the Cold War.
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Bianco, Magda, and Giulio Napolitano. Why the Italian Administrative System Is a Source of Competitive Disadvantage. Edited by Gianni Toniolo. Oxford University Press, 2013. http://dx.doi.org/10.1093/oxfordhb/9780199936694.013.0019.
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The development of the Italian administrative system showed some initial weaknesses: Italy was a latecomer, not having a strong administrative tradition; a substantial role of lawyers and legal administrative formalism strongly affected the evolution of the administration; the interaction between administration and politics was not always virtuous. All these factors had an impact on some of the expected outputs: we show as an example the evolution of the length, and quality, of civil justice decisions. Some reactions to these weaknesses-such as the development of "parallel" administrations, less subject to formal constraints-accompanied and sustained the country industrial growth at the beginning of the twentieth century and in the 1950s. But then again the inefficiencies and inadequacy of the responses prevailed. Parallel administrations slowly became similar to the formal public administration; overregulation, partly a reaction to inefficient law enforcement, followed; corruption strongly increased. Reforming the system proved more and more difficult.
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Brommelhoff, Jessica A. Depression in Dementia Syndromes. Edited by C. Steven Richards and Michael W. O'Hara. Oxford University Press, 2013. http://dx.doi.org/10.1093/oxfordhb/9780199797004.013.007.
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Depressive symptoms are common in many dementia syndromes, and depressive disorders are much more common in older adults with dementia than in cognitively intact older adults. Depression may be a risk factor for, or a prodromal feature of, subsequent dementia. Several neuropathological mechanisms have been suggested to explain these relationships, including the role of underlying cerebrovascular risk factors for depression and cognitive impairment. Depression also may be present in dementia as an emotional reaction to cognitive decline, or as a recurrence of early and midlife depression. Differential diagnosis between depression and dementia is essential, but complicated by problems in assessment, overlapping symptoms between the two conditions, and other medical co-morbidities. Pharmacological treatment of depression in dementia may also be complicated by medical co-morbidity, and can run the risk for adverse reactions or interactions between medications. Psychotherapy and psychosocial interventions, however, hold some promise for effective reduction of depressive symptoms.
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Liljeström, Marianne. Affect. Edited by Lisa Disch and Mary Hawkesworth. Oxford University Press, 2015. http://dx.doi.org/10.1093/oxfordhb/9780199328581.013.3.
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During the last few decades, feminist affect studies have enunciated challenging epistemological and ontological questions based on numerous discussions and readings of affect as emotive intensities, intuitive reactions, and life forces. Affect has created a space for rethinking theoretical issues that range from the dualisms between body and mind to the critique of identity politics and critical reading. This theorizing has underlined the sensual qualities of being and the capacity to experience and understand the world in profoundly relational and productive ways. This chapter presents examples of the wide spectrum of contemporary feminist affect studies. It discusses the notion of “affective turn,” concentrating on the way it has been seen as a reaction and a challenge to alleged limitations of poststructuralism and deconstruction; describes definitions of affect; explores understandings of the linkages between epistemology and ontology, and offers some reflections on the feminist politics of affects.
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Taiz, Lincoln, and Lee Taiz. Behind the Green Door. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780190490263.003.0014.
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Chapter 14 explores literary and scientific reactions to the idea of sex in plants. England experienced a fashion for “phytoerotica”: bawdy verse, in which plants represented human genitalia, and classically inspired poetry, in which stamens and pistils were personified as husbands, wives and lovers. The former had little to do with plants. The latter served to teach the Linnaean sexual classification system. In reaction, some botanists rejected both the sexual theory and the Linnaean system. Two camps developed, the “sexualists” and the “asexualists”. J.G. Siegesbeck railed, “[Who] will ever believe that God Almighty should have introduced such…shameful whoredom for the propagation of the reign of plants.” The negative impact of the sexual system on the morals of women became the asexualist’s rallying cry. In 1759, the Pope banned all Linnaeus’s books and ordered them burned. Nevertheless, Erasmus Darwin’s “Loves of Plants,” with its fascinating female plant characters, was a hit.
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Kosstrin, Hannah. The Wandering Frog That Did Not Travel Well. Oxford University Press, 2017. http://dx.doi.org/10.1093/acprof:oso/9780199396924.003.0004.
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American critical reactions to Anna Sokolow’s Mexican works Wandering Frog (1940) and Lament for the Death of a Bullfighter (1941) displayed the differences between Mexican and American modernism. US critics read the dances as ethnic instead of revolutionary within an anticommunist American critical discourse of ethnic and ethnologic dance. The resonance of Sokolow’s choreography among the transnational Left in the 1930s fell flat given the United States’ wartime demonization of Communism and shift in American dance coverage from leftist to mainstream newspapers and magazines. This spectatorial mismatch ended in a loss of nuance in the public readings of her dances, but created space for dances like Kaddish (1945) to be transgressive while appearing universal. Kaddish and Mexican Retablo (1946) display Sokolow’s feminist subversion of ritual in reaction to the Holocaust. They account for a human tragedy she railed against and publicly mourned in its aftermath.