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Through meticulous explanations and detailed descriptions of the mechanisms of selected reactions, this text teaches students how to think and apply principles to predict the outcome of reactions they have never seen before.
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This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.
Physicochemistry --- Organic reaction mechanisms and kinetics --- Chemistry --- Computer. Automation --- thermodynamica --- chemie --- informatica --- kogellagers --- fysicochemie
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Imaging and Manipulating Molecular Orbitals celebrates the 60th anniversary of the first image of a single molecule by E. Müller. This book summarizes the advances in the field from various groups around the world who use a broad range of experimental techniques: scanning probe microscopy (STM and AFM), field emission microscopy, transmission electron microscopy, attosecond tomography and photoemission spectroscopy. The book is aimed at those who are interested in the field of molecular orbital imaging and manipulation. Included in the book are a variety of experimental techniques in combination with theoretical approaches which describe the spatial distribution and energies of the molecular orbitals. The goal is to provide the reader with an up-to-date summary on the latest developments in this field from various points of view.
Physics --- Physicochemistry --- Organic reaction mechanisms and kinetics --- Electrical engineering --- thermodynamica --- nanotechniek --- fysica --- kogellagers --- fysicochemie
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Christian George, Barbara D’Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.
Physicochemistry --- Organic reaction mechanisms and kinetics --- Chemistry --- Geophysics --- Meteorology. Climatology --- thermodynamica --- chemie --- geofysica --- kogellagers --- fysicochemie --- atmosfeer
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This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Physicochemistry --- Organic reaction mechanisms and kinetics --- Chemistry --- Computer. Automation --- thermodynamica --- machine learning --- chemie --- informatica --- kogellagers --- fysicochemie
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This book provides a concise introduction to pericyclic and photochemical reactions for organic synthesis. In the first part about pericyclic reactions, the author explains electrocyclic reactions, cycloaddition reactions, sigmatropic rearrangements, and group transfer reactions. The second part on photochemistry is dedicated to photochemical reactions of a variety of compound classes, including alkenes, dienes, and polyenes, carbonyl compounds, and aromatic compounds. Additionally, photofragmentation reactions are described in a dedicated chapter. The last chapter gives an outlook on applications of photochemistry and natural photochemical phenomena. Both parts start with a comprehensive presentation of the general principles of the pericyclic and photochemical reactions. All chapters are rich in examples, which help illustrate the explained principles and establish ties to results and trends in recent research. Additionally, each chapter offers exercises for students, and solutions to the problems are provided in a separate appendix. This book nicely illustrates the utility of pericyclic and photochemical reactions and provides students and researchers with the tools to apply them routinely for an efficient synthesis of complex organic molecules. It will therefore appeal to advanced undergraduate students, graduate and postgraduate students, and even to practitioners and scientists in the field of organic synthesis. The rich examples and exercises will also make it a versatile tool for teachers and lecturers.
Physicochemistry --- Organic reaction mechanisms and kinetics --- Organic chemistry --- thermodynamica --- organische chemie --- kogellagers --- fysicochemie
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This important book describes the basic principles of astrochemistry—an interdisciplinary field combining astronomy, physics, and chemistry—with particular emphasis on its physical and chemical background. Chemical processes in diffuse clouds, dense quiescent molecular clouds, star-forming regions, and protoplanetary disks are discussed. A brief introduction to molecular spectroscopy and observational techniques is also presented. These contents provide astronomers with a comprehensive understanding of how interstellar matter is evolved and brought into stars and planets, which is ultimately related to the origin of the solar system. The subject matter will also be understandable and useful for physical chemists who are interested in exotic chemical processes occurring in extreme physical conditions. The book is a valuable resource for all researchers beginning at the graduate level.
Solar system --- Astronomy --- Physicochemistry --- Organic reaction mechanisms and kinetics --- thermodynamica --- zonnestelsel --- planeten --- astronomie --- kogellagers --- fysicochemie
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This book presents an overview of recent advances in our understanding of the genesis of diamonds and the associated phases. It is divided into three main parts, starting with an introduction to the analysis of diamond inclusions to infer the formation processes. In turn, the second part of the book presents high-pressure experimental studies in mantle diamond-parental mineral systems with representative multicomponent boundary compositions. The experimental syngenesis phase diagrams provided reveal the physicochemical mechanisms of diamond nucleation and substantiate the mantle-carbonatite concept of the genesis of diamonds and associated phases. Lastly, the book describes the genetic classification of diamond-hosted mineral inclusions and experimentally determined RE “mineral-parental melt” partition coefficients. The physicochemical experimental evidence presented shows the driving forces behind the fractional evolution of the mantle magmas and diamond-parental melts. Given the depth and breadth of its coverage, the book offers researchers essential new insights into the ways diamonds and associated minerals and rocks are naturally created.
Physicochemistry --- Organic reaction mechanisms and kinetics --- Geochemistry --- Rocks. Minerals --- geochemie --- mineralogie --- thermodynamica --- kogellagers --- fysicochemie
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Features twenty-five chapter contributions from an international array of distinguished academics based in Asia, Eastern and Western Europe, Russia, and the USA. This multi-author contributed volume provides an up-to-date and authoritative overview of cutting-edge themes involving the thermal analysis, applied solid-state physics, micro- and nano-crystallinity of selected solids and their macro- and microscopic thermal properties. Distinctive chapters featured in the book include, among others, calorimetry time scales from days to microseconds, glass transition phenomena, kinetics of non-isothermal processes, thermal inertia and temperature gradients, thermodynamics of nanomaterials, self-organization, significance of temperature and entropy. Advanced undergraduates, postgraduates and researchers working in the field of thermal analysis, thermophysical measurements and calorimetry will find this contributed volume invaluable. This is the third volume of the triptych volumes on thermal behaviour of materials; the previous two receiving thousand of downloads guaranteeing their worldwide impact.
Thermodynamics --- Physicochemistry --- Organic reaction mechanisms and kinetics --- Applied arts. Arts and crafts --- thermodynamica --- keramiek --- kogellagers --- fysicochemie
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Familiar combinations of ingredients and processing make the structures that give food its properties. For example, in ice cream the emulsifiers and proteins stabilize partly crystalline milk fat as an emulsion, freezing (crystallization) of some of the water gives the product its hardness, and polysaccharide stabilizers keep it smooth. Why different recipes work as they do is largely governed by the rules of physical chemistry. This textbook introduces the physical chemistry essential to understanding the behavior of foods. Starting with the simplest model of molecules attracting and repelling one another while being moved by the randomizing effect of heat, the laws of thermodynamics are used to derive important properties of foods such as flavor binding and water activity. Most foods contain multiple phases, and the same molecular model is used to understand phase diagrams, phase separation, and the properties of surfaces. The remaining chapters focus on the formation and properties of specific structures in foods – crystals, polymers, dispersions and gels. Only a basic understanding of food science is needed, and no mathematics or chemistry beyond the introductory college courses is required. At all stages, examples from the primary literature are used to illustrate the text and to highlight the practical applications of physical chemistry in food science. John Coupland is a Professor of Food Science at Penn State where he teaches food chemistry and the physical chemistry of foods. His research is largely focused on food colloids.
Physicochemistry --- Organic reaction mechanisms and kinetics --- Chemistry --- Food science and technology --- thermodynamica --- chemie --- voedingsleer --- polymeren --- kogellagers --- fysicochemie
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