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Author : Jerry Suits
Publisher :
ISBN 13 : 9781524929855
Total Pages : pages
Book Rating : 4.59/5 ( download)
Download or read book Visualizing Chemistry written by Jerry Suits and published by . This book was released on 2021-07-13 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : D. Heidrich
Publisher : Springer Science & Business Media
ISBN 13 : 9401585393
Total Pages : 303 pages
Book Rating : 4.92/5 ( download)
Download or read book The Reaction Path in Chemistry: Current Approaches and Perspectives written by D. Heidrich and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: The so-called reaction path (RP) with respect to the potential energy or the Gibbs energy ("free enthalpy") is one of the most fundamental concepts in chemistry. It significantly helps to display and visualize the results of the complex microscopic processes forming a chemical reaction. This concept is an implicit component of conventional transition state theory (TST). The model of the reaction path and the TST form a qualitative framework which provides chemists with a better understanding of chemical reactions and stirs their imagination. However, an exact calculation of the RP and its neighbourhood becomes important when the RP is used as a tool for a detailed exploring of reaction mechanisms and particularly when it is used as a basis for reaction rate theories above and beyond TST. The RP is a theoretical instrument that now forms the "theoretical heart" of "direct dynamics". It is particularly useful for the interpretation of reactions in common chemical systems. A suitable definition of the RP of potential energy surfaces is necessary to ensure that the reaction theories based on it will possess sufficiently high quality. Thus, we have to consider three important fields of research: - Analysis of potential energy surfaces and the definition and best calculation of the RPs or - at least - of a number of selected and chemically interesting points on it. - The further development of concrete vers ions of reaction theory beyond TST which are applicable for common chemical systems using the RP concept.
Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 030916463X
Total Pages : 222 pages
Book Rating : 4.34/5 ( download)
Download or read book Visualizing Chemistry written by National Research Council and published by National Academies Press. This book was released on 2006-06-01 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: Scientists and engineers have long relied on the power of imaging techniques to help see objects invisible to the naked eye, and thus, to advance scientific knowledge. These experts are constantly pushing the limits of technology in pursuit of chemical imagingâ€"the ability to visualize molecular structures and chemical composition in time and space as actual events unfoldâ€"from the smallest dimension of a biological system to the widest expanse of a distant galaxy. Chemical imaging has a variety of applications for almost every facet of our daily lives, ranging from medical diagnosis and treatment to the study and design of material properties in new products. In addition to highlighting advances in chemical imaging that could have the greatest impact on critical problems in science and technology, Visualizing Chemistry reviews the current state of chemical imaging technology, identifies promising future developments and their applications, and suggests a research and educational agenda to enable breakthrough improvements.
Author : Douglas P. Heller
Publisher : John Wiley & Sons
ISBN 13 : 1119003067
Total Pages : 562 pages
Book Rating : 4.69/5 ( download)
Download or read book Visualizing Everyday Chemistry written by Douglas P. Heller and published by John Wiley & Sons. This book was released on 2015-01-20 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Visualizing Everyday Chemistry is for a one-semester course dedicated to introducing chemistry to non-science students. It shows what chemistry is and what it does, by integrating words with powerful and compelling visuals and learning aids. With this approach, students not only learn the basic principles of chemistry but see how chemistry impacts their lives and society. The goal of Visualizing Everyday Chemistry is to show students that chemistry is important and relevant, not because we say it is but because they see it is.
Author :
Publisher :
ISBN 13 : 9780309102407
Total Pages : 187 pages
Book Rating : 4.05/5 ( download)
Download or read book Visualizing Chemistry written by and published by . This book was released on 2006 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Norio Sato
Publisher : Elsevier
ISBN 13 : 9780080501000
Total Pages : 160 pages
Book Rating : 4.01/5 ( download)
Download or read book Chemical Energy and Exergy written by Norio Sato and published by Elsevier. This book was released on 2004-03-31 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a beginners introduction to chemical thermodynamics for engineers. In the textbook efforts have been made to visualize as clearly as possible the main concepts of thermodynamic quantities such as enthalpy and entropy, thus making them more perceivable. Furthermore, intricate formulae in thermodynamics have been discussed as functionally unified sets of formulae to understand their meaning rather than to mathematically derive them in detail. In this textbook, the affinity of irreversible processes, defined by the second law of thermodynamics, has been treated as the main subject, rather than the equilibrium of chemical reactions. The concept of affinity is applicable in general not only to the processes of chemical reactions but also to all kinds of irreversible processes. This textbook also includes electrochemical thermodynamics in which, instead of the classical phenomenological approach, molecular science provides an advanced understanding of the reactions of charged particles such as ions and electrons at the electrodes. Recently, engineering thermodynamics has introduced a new thermodynamic potential called exergy, which essentially is related to the concept of the affinity of irreversible processes. This textbook discusses the relation between exergy and affinity and explains the exergy balance diagram and exergy vector diagram applicable to exergy analyses in chemical manufacturing processes. This textbook is written in the hope that the readers understand in a broad way the fundamental concepts of energy and exergy from chemical thermodynamics in practical applications. Finishing this book, the readers may easily step forward further into an advanced text of their specified line. - Visualizes the main concepts of thermodynamics to show the meaning of the quantities and formulae. - Focuses mainly on the affinity of irreversible processes and the related concept of exergy. - Provides an advanced understanding of electrochemical thermodynamics.
Author : David D. Nolte
Publisher : Oxford University Press
ISBN 13 : 0192528505
Total Pages : 384 pages
Book Rating : 4.06/5 ( download)
Download or read book Galileo Unbound written by David D. Nolte and published by Oxford University Press. This book was released on 2018-07-12 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Galileo Unbound traces the journey that brought us from Galileo's law of free fall to today's geneticists measuring evolutionary drift, entangled quantum particles moving among many worlds, and our lives as trajectories traversing a health space with thousands of dimensions. Remarkably, common themes persist that predict the evolution of species as readily as the orbits of planets or the collapse of stars into black holes. This book tells the history of spaces of expanding dimension and increasing abstraction and how they continue today to give new insight into the physics of complex systems. Galileo published the first modern law of motion, the Law of Fall, that was ideal and simple, laying the foundation upon which Newton built the first theory of dynamics. Early in the twentieth century, geometry became the cause of motion rather than the result when Einstein envisioned the fabric of space-time warped by mass and energy, forcing light rays to bend past the Sun. Possibly more radical was Feynman's dilemma of quantum particles taking all paths at once — setting the stage for the modern fields of quantum field theory and quantum computing. Yet as concepts of motion have evolved, one thing has remained constant, the need to track ever more complex changes and to capture their essence, to find patterns in the chaos as we try to predict and control our world.
Author : Donald Truhlar
Publisher : Springer Science & Business Media
ISBN 13 : 1475717350
Total Pages : 859 pages
Book Rating : 4.58/5 ( download)
Download or read book Potential Energy Surfaces and Dynamics Calculations written by Donald Truhlar and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 859 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.
Author : Dietmar Heidrich
Publisher : Springer Science & Business Media
ISBN 13 : 3642934994
Total Pages : 193 pages
Book Rating : 4.95/5 ( download)
Download or read book Properties of Chemically Interesting Potential Energy Surfaces written by Dietmar Heidrich and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path definitions. The book presents a simple mathematical analysis of stationary and critical points of the PES. It provides tools for studying chemical reactions by calculating reaction paths and related curves. A further aspect of the book is the dependence of PES properties on approximations used for the analysis. Recent quantum chemical calculations, particularly of single proton transfer processes, and experimental data are compared. The book addresses students and researchers in Theoretical Chemistry, Chemical Kinetics and related fields.
Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309168392
Total Pages : 238 pages
Book Rating : 4.97/5 ( download)
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
