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This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes.The text begins with the problem of determining the chemical reaction properties by first decomposing complex processes into their elementary components. Next, the problem of two colliding mass points is investigated and relationships between initial conditions and collision outcomes are discussed. The failure of classical approaches to match experimental information is discussed and a quantum formulation of the calculation of the properties of two colliding bodies is provided. The authors go onto describe how the formalism is extended to structured collision partners by discussing the methods used to compute the electronic structure of polyelectronic reactants and products and the formalism of atom diatom reactions. Additionally, the relationships between the features of the potential energy surface and the outcomes of the reactive dynamics, are discussed. Methods for computing quantum, classical, and semi-classical reactive probabilities based on the already discussed concepts and tools are also featured and the resulting main typical reactive behaviors are analyzed. Finally, the possibility of composing the computational tools and technologies needed to tackle more complex simulations as well as the various competences and distributed computing infrastructure needed for developing synergistic approaches to innovation are presented.
Chemistry. --- Inorganic chemistry. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Theoretical and Computational Chemistry. --- Physical Chemistry. --- Inorganic Chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Inorganic chemistry --- Inorganic compounds --- Physical sciences --- Chemistry, Physical organic. --- Chemistry, inorganic. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Chemistry, Inorganic.
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The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics of pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors. All chapters from Topics in Organometallic Chemistry are published OnlineFirst with an individual DOI. In references, Topics in Organometallic Chemistry is abbrev iated as Top Organomet Chem and cited as a journal.
Chemistry. --- Organometallic chemistry. --- Physical chemistry. --- Catalysis. --- Organometallic Chemistry. --- Physical Chemistry. --- Activation (Chemistry) --- Chemistry, Physical and theoretical --- Surface chemistry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Chemistry, Organometallic --- Metallo-organic chemistry --- Chemistry, Organic --- Physical sciences --- Chemistry, Organic. --- Chemistry, Physical organic. --- Chemistry, Physical organic --- Organic chemistry --- Rhodium catalysts. --- Rhodium. --- Platinum group catalysts --- Platinum group --- Organometallic chemistry .
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This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related books, however, this one contains a practical selection of material, particularly for graduate and undergraduate students majoring in chemistry. The book first describes quantum mechanics and electromagnetism, with the relation between the two being emphasized. Although quantum mechanics covers a broad field in modern physics, the author focuses on a hydrogen(like) atom and a harmonic oscillator with regard to the operator method. This approach helps chemists understand the basic concepts of quantum mechanics aided by their intuitive understanding without abstract argument, as chemists tend to think of natural phenomena and other factors intuitively rather than only logically. The study of light propagation, reflection, and transmission in dielectric media is of fundamental importance. This book explains these processes on the basis of Maxwell equations. The latter half of the volume deals with mathematical physics in terms of vectors and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment of methane is introduced, including a basic but essential explanation of Green functions and group theory. Methodology developed by the author will also prove to be useful to physicists. .
Mathematical physics. --- Chemistry, Physical and theoretical --- Physical mathematics --- Physics --- Mathematics. --- Mathematics --- Chemistry. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Physics. --- Theoretical and Computational Chemistry. --- Mathematical Methods in Physics. --- Physical Chemistry. --- Mathematical Applications in the Physical Sciences. --- Chemistry, Physical organic. --- Chemistry, Physical organic --- Chemistry, Organic --- Physical sciences --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Natural philosophy --- Philosophy, Natural --- Dynamics
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This thesis offers a unique guide to the development and application of ultrasensitive optical microscopy based on light scattering. Divided into eight chapters, it covers an impressive range of scientific fields, from basic optical physics to molecular biology and synthetic organic chemistry. Especially the detailed information provided on how to design, build and implement an interferometric scattering microscope, as well as the descriptions of all instrumentation, hardware interfacing and image processing necessary to achieve the highest levels of performance, will be of interest to researchers now entering the field.
Chemistry, Organic. --- Chemistry. --- Organic chemistry. --- Physical chemistry. --- Cell biology. --- Atoms. --- Physics. --- Physical Chemistry. --- Organic Chemistry. --- Cell Biology. --- Atomic, Molecular, Optical and Plasma Physics. --- Organic chemistry --- Chemistry --- Chemistry, Physical organic. --- Cytology. --- Cell biology --- Cellular biology --- Biology --- Cells --- Cytologists --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Natural philosophy --- Philosophy, Natural --- Physical sciences --- Dynamics --- Matter --- Stereochemistry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Constitution
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This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics. The authors, experienced lecturers, describe the main concepts in photochemical and photophysical processes that are used as a basis to interpret classical steady-state experimental results (essentially product branching ratios and quantum yields) and the most advanced time-resolved techniques. A significant portion of the content is devoted to the computational techniques present in quantum chemistry and molecular dynamics. With its short summaries, questions and exercises, this book is aimed at graduate students, while its theoretical focus differentiates it from most introductory textbooks on photochemistry.
Chemistry. --- Inorganic chemistry. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Theoretical and Computational Chemistry. --- Physical Chemistry. --- Inorganic Chemistry. --- Chemistry, Physical organic. --- Chemistry, inorganic. --- Inorganic chemistry --- Chemistry --- Inorganic compounds --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Physical sciences --- Photochemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry
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This volume covers recent advances in the chemistry of ylidic compounds with focus on their application in the design of ligands with unique donor properties, the development of novel organic transformations as well as the use of ylides in homogenous catalysis. Thereby, this volume particularly aims at the community of organic and organometallic chemists engaged in synthetic chemistry and catalysis as well as in the use of special ligands for the stabilization of unusual main group element species and the “transition-metal free” activation of element-element/hydrogen bonds. These fields of research are highly active and vivid research areas to which ylide chemistry has only recently started to contribute, but has already led to fascinating developments in most different directions. This volume highlights these recent developments, thus giving not only an overview over the past achievements, but also possibilities for future applications. To this end, the chapters selected in this volume combine different aspects of ylide chemistry, starting with theoretical aspects in ligand design followed by synthetic organic methods, catalytic transformations and complex chemistry. .
Chemistry. --- Organic chemistry. --- Physical chemistry. --- Catalysis. --- Organic Chemistry. --- Physical Chemistry. --- Activation (Chemistry) --- Chemistry, Physical and theoretical --- Surface chemistry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Organic chemistry --- Physical sciences --- Chemistry, Organic. --- Chemistry, Physical organic. --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical.
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The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.
Physical organic chemistry. --- Hydrocarbons. --- Chemistry, Organic. --- Chemistry, Physical organic. --- Spectroscopy. --- Organic Chemistry. --- Physical Chemistry. --- Spectroscopy/Spectrometry. --- Analysis, Spectrum --- Spectra --- Spectrochemical analysis --- Spectrochemistry --- Spectroscopy --- Chemistry, Analytic --- Interferometry --- Optics --- Radiation --- Wave-motion, Theory of --- Absorption spectra --- Light --- Spectroscope --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Organic chemistry --- Chemistry --- Qualitative --- Spectrometry --- Organic chemistry. --- Physical chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Analytical chemistry
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This textbook is an introduction to the Brownian motion of colloids and nano-particles, and the diffusion of molecules. One very appealing aspect of Brownian motion, as this book illustrates, is that the subject connects a broad variety of topics, including thermal physics, hydrodynamics, reaction kinetics, fluctuation phenomena, statistical thermodynamics, osmosis and colloid science. The book is based on a set of lecture notes that the authors used for an undergraduate course at the University of Utrecht, Netherland. It aims to provide more than a simplified qualitative description of the subject, without getting bogged down in difficult mathematics. Each chapter contains exercises, ranging from straightforward ones to more involved problems, addressing instances from (thermal motion in) chemistry, physics and life sciences. Exercises also deal with derivations or calculations that are skipped in the main text. The book offers a treatment of Brownian motion on a level appropriate for bachelor/undergraduate students of physics, chemistry, soft matter and the life sciences. PhD students attending courses and doing research in colloid science or soft matter will also benefit from this book.
Chemistry, Physical organic. --- Thermodynamics. --- Soft and Granular Matter, Complex Fluids and Microfluidics. --- Physical Chemistry. --- Fluid- and Aerodynamics. --- Chemistry, Physical and theoretical --- Dynamics --- Mechanics --- Physics --- Heat --- Heat-engines --- Quantum theory --- Chemistry, Physical organic --- Chemistry, Organic --- Physical organic chemistry. --- Amorphous substances. --- Complex fluids. --- Physical chemistry. --- Fluids. --- Hydraulics --- Hydrostatics --- Permeability --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Complex liquids --- Fluids, Complex --- Amorphous substances --- Liquids --- Soft condensed matter
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Thirty carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2016) are featured in this edited book of proceedings. ICPAC 2016, a biennial meeting, was held in Mauritius in July 2016. The chapters in this book reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects. This is a unique collection of full research papers as well as reviews.
Chemistry. --- Physical chemistry. --- Biochemistry. --- Environmental chemistry. --- Nanotechnology. --- Physical Chemistry. --- Biochemistry, general. --- Environmental Chemistry. --- Green Chemistry. --- Chemistry --- History. --- Chemistry, Physical organic. --- Green chemistry. --- Environmental chemistry --- Sustainable chemistry --- Chemical engineering --- Chemistry, Technical --- Sustainable engineering --- Chemistry, Environmental --- Ecology --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Biology --- Medical sciences --- Molecular technology --- Nanoscale technology --- High technology --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Industrial applications --- Composition --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry
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This textbook extends from the basics of femtosecond physics all the way to some of the latest developments in the field. In this updated edition, the chapter on laser-driven atoms is augmented by the discussion of two-electron atoms interacting with strong and short laser pulses, as well as by a review of ATI rings and low energy structures in photo-electron spectra. In the chapter on laser-driven molecules a discussion of 2D infrared spectroscopy is incorporated. Theoretical investigations of atoms and molecules interacting with pulsed lasers up to atomic field strengths on the order of 10^16 W/cm² are leading to an understanding of many challenging experimental discoveries. The presentation starts with a brief introduction to pulsed laser physics. The basis for the non-perturbative treatment of laser-matter interaction in the book is the time-dependent Schrödinger equation. Its analytical as well as numerical solution are laid out in some detail. The light field is treated classically and different possible gauges for the field-matter interaction are discussed. Physical phenomena, ranging from paradigmatic Rabi-oscillations in two-level systems to the ionization of atoms, the generation of high-order harmonics, the ionization and dissociation of molecules, as well as the control of chemical reactions are presented and discussed on a fundamental level. In this way, the theoretical background for state of the art experiments with strong and short laser pulses is given. The new text is augmented by several additional exercises and now contains a total of forty-eight problems, whose worked-out solutions are given in the last chapter. In addition, some detailed calculations are performed in the appendices. Furthermore, each chapter ends with references to more specialized literature.
Physics. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Quantum physics. --- Atoms. --- Matter. --- Atoms and Molecules in Strong Fields, Laser Matter Interaction. --- Quantum Physics. --- Classical Electrodynamics. --- Physical Chemistry. --- Theoretical and Computational Chemistry. --- Quantum theory. --- Chemistry, Physical organic. --- Chemistry. --- Physical sciences --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Quantum dynamics --- Quantum mechanics --- Quantum physics --- Physics --- Mechanics --- Thermodynamics --- Femtosecond lasers. --- Optics. --- Electrodynamics. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Dynamics --- Light --- Natural philosophy --- Philosophy, Natural --- Matter --- Stereochemistry --- Constitution
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