Chemical Reaction Theory

Download Chemical Reaction Theory full books in PDF, epub, and Kindle. Read online Chemical Reaction Theory ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!

Foundations of Chemical Reaction Network Theory

Author : Martin Feinberg
Publisher : Springer
ISBN 13 : 3030038580
Total Pages : 475 pages
Book Rating : 4.0/5 (3 download)

DOWNLOAD NOW!

Book Synopsis Foundations of Chemical Reaction Network Theory by : Martin Feinberg

Download or read book Foundations of Chemical Reaction Network Theory written by Martin Feinberg and published by Springer. This book was released on 2019-01-31 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an authoritative introduction to the rapidly growing field of chemical reaction network theory. In particular, the book presents deep and surprising theorems that relate the graphical and algebraic structure of a reaction network to qualitative properties of the intricate system of nonlinear differential equations that the network induces. Over the course of three main parts, Feinberg provides a gradual transition from a tutorial on the basics of reaction network theory, to a survey of some of its principal theorems, and, finally, to a discussion of the theory’s more technical aspects. Written with great clarity, this book will be of value to mathematicians and to mathematically-inclined biologists, chemists, physicists, and engineers who want to contribute to chemical reaction network theory or make use of its powerful results.

Collision Theory and Statistical Theory of Chemical Reactions

Author : S. G. Christov
Publisher : Springer Science & Business Media
ISBN 13 : 3642931421
Total Pages : 336 pages
Book Rating : 4.6/5 (429 download)

DOWNLOAD NOW!

Book Synopsis Collision Theory and Statistical Theory of Chemical Reactions by : S. G. Christov

Download or read book Collision Theory and Statistical Theory of Chemical Reactions written by S. G. Christov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the discovery of quantum mechanics,more than fifty years ago,the theory of chemical reactivity has taken the first steps of its development. The knowledge of the electronic structure and the properties of atoms and molecules is the basis for an un derstanding of their interactions in the elementary act of any chemical process. The increasing information in this field during the last decades has stimulated the elaboration of the methods for evaluating the potential energy of the reacting systems as well as the creation of new methods for calculation of reaction probabili ties (or cross sections) and rate constants. An exact solution to these fundamental problems of theoretical chemistry based on quan tum mechanics and statistical physics, however, is still impossible even for the simplest chemical reactions. Therefore,different ap proximations have to be used in order to simplify one or the other side of the problem. At present, the basic approach in the theory of chemical reactivity consists in separating the motions of electrons and nu clei by making use of the Born-Oppenheimer adiabatic approximation to obtain electronic energy as an effective potential for nuclear motion. If the potential energy surface is known, one can calculate, in principle, the reaction probability for any given initial state of the system. The reaction rate is then obtained as an average of the reaction probabilities over all possible initial states of the reacting ~artic1es. In the different stages of this calculational scheme additional approximations are usually introduced.

Chemistry 2e

Author : Paul Flowers
Publisher :
ISBN 13 : 9781947172623
Total Pages : 0 pages
Book Rating : 4.1/5 (726 download)

DOWNLOAD NOW!

Book Synopsis Chemistry 2e by : Paul Flowers

Download or read book Chemistry 2e written by Paul Flowers and published by . This book was released on 2019-02-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.

Reaction Rate Theory and Rare Events

Author : Baron Peters
Publisher : Elsevier
ISBN 13 : 0444594701
Total Pages : 636 pages
Book Rating : 4.4/5 (445 download)

DOWNLOAD NOW!

Book Synopsis Reaction Rate Theory and Rare Events by : Baron Peters

Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises

Chemical Reactions

Author : Antonio Laganà
Publisher : Springer
ISBN 13 : 3319623567
Total Pages : 219 pages
Book Rating : 4.3/5 (196 download)

DOWNLOAD NOW!

Book Synopsis Chemical Reactions by : Antonio Laganà

Download or read book Chemical Reactions written by Antonio Laganà and published by Springer. This book was released on 2018-01-17 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Theories of Molecular Reaction Dynamics

Author : Niels E. Henriksen
Publisher : Oxford University Press, USA
ISBN 13 : 0199203865
Total Pages : 391 pages
Book Rating : 4.1/5 (992 download)

DOWNLOAD NOW!

Book Synopsis Theories of Molecular Reaction Dynamics by : Niels E. Henriksen

Download or read book Theories of Molecular Reaction Dynamics written by Niels E. Henriksen and published by Oxford University Press, USA. This book was released on 2008 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems.

Mathematical Models of Chemical Reactions

Author : Péter Érdi
Publisher : Manchester University Press
ISBN 13 : 9780719022081
Total Pages : 296 pages
Book Rating : 4.0/5 (22 download)

DOWNLOAD NOW!

Book Synopsis Mathematical Models of Chemical Reactions by : Péter Érdi

Download or read book Mathematical Models of Chemical Reactions written by Péter Érdi and published by Manchester University Press. This book was released on 1989 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Why Chemical Reactions Happen

Author : James Keeler
Publisher : Oxford University Press, USA
ISBN 13 : 0199249733
Total Pages : 255 pages
Book Rating : 4.1/5 (992 download)

DOWNLOAD NOW!

Book Synopsis Why Chemical Reactions Happen by : James Keeler

Download or read book Why Chemical Reactions Happen written by James Keeler and published by Oxford University Press, USA. This book was released on 2003-03-27 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: This supplemental text for a freshman chemistry course explains the formation of ionic bonds in solids and the formation of covalent bonds in atoms and molecules, then identifies the factors that control the rates of reactions and describes more complicated types of bonding. Annotation (c)2003 Book News, Inc., Portland, OR (booknews.com).

Theory of Chemical Reaction Dynamics

Author : Antonio Laganà
Publisher : Springer Science & Business Media
ISBN 13 : 1402021658
Total Pages : 498 pages
Book Rating : 4.4/5 (2 download)

DOWNLOAD NOW!

Book Synopsis Theory of Chemical Reaction Dynamics by : Antonio Laganà

Download or read book Theory of Chemical Reaction Dynamics written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2006-03-28 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003

Reaction Rate Constant Computations

Author : Keli Han
Publisher : Royal Society of Chemistry
ISBN 13 : 1849736502
Total Pages : 592 pages
Book Rating : 4.8/5 (497 download)

DOWNLOAD NOW!

Book Synopsis Reaction Rate Constant Computations by : Keli Han

Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.

Chemical Reaction Networks

Author : Oleg N. Temkin
Publisher : CRC Press
ISBN 13 : 1000141160
Total Pages : 300 pages
Book Rating : 4.0/5 (1 download)

DOWNLOAD NOW!

Book Synopsis Chemical Reaction Networks by : Oleg N. Temkin

Download or read book Chemical Reaction Networks written by Oleg N. Temkin and published by CRC Press. This book was released on 2020-07-24 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.

Chemical Kinetics and Reaction Dynamics

Author : Santosh K. Upadhyay
Publisher : Springer Science & Business Media
ISBN 13 : 1402045476
Total Pages : 256 pages
Book Rating : 4.4/5 (2 download)

DOWNLOAD NOW!

Book Synopsis Chemical Kinetics and Reaction Dynamics by : Santosh K. Upadhyay

Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

Chemical Kinetics

Author : Kenneth Antonio Connors
Publisher : Wiley-VCH Verlag GmbH
ISBN 13 : 9781560810537
Total Pages : 498 pages
Book Rating : 4.8/5 (15 download)

DOWNLOAD NOW!

Book Synopsis Chemical Kinetics by : Kenneth Antonio Connors

Download or read book Chemical Kinetics written by Kenneth Antonio Connors and published by Wiley-VCH Verlag GmbH. This book was released on 1990 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics The Study of Reaction Rates in Solution Kenneth A. Connors This chemical kinetics book blends physical theory, phenomenology and empiricism to provide a guide to the experimental practice and interpretation of reaction kinetics in solution. It is suitable for courses in chemical kinetics at the graduate and advanced undergraduate levels. This book will appeal to students in physical organic chemistry, physical inorganic chemistry, biophysical chemistry, biochemistry, pharmaceutical chemistry and water chemistry all fields concerned with the rates of chemical reactions in the solution phase.

Modern Trends in Chemical Reaction Dynamics

Author : Xueming Yang
Publisher : World Scientific
ISBN 13 : 9812389237
Total Pages : 539 pages
Book Rating : 4.8/5 (123 download)

DOWNLOAD NOW!

Book Synopsis Modern Trends in Chemical Reaction Dynamics by : Xueming Yang

Download or read book Modern Trends in Chemical Reaction Dynamics written by Xueming Yang and published by World Scientific. This book was released on 2004 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation Provides a detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. Topics include the Doppler-selected time-of-flight technique, multimass ion imaging, and photodissociation dynamics of free radicals.

An Introduction to Chemical Kinetics

Author : Claire Vallance
Publisher : Morgan & Claypool Publishers
ISBN 13 : 1681746670
Total Pages : 101 pages
Book Rating : 4.6/5 (817 download)

DOWNLOAD NOW!

Book Synopsis An Introduction to Chemical Kinetics by : Claire Vallance

Download or read book An Introduction to Chemical Kinetics written by Claire Vallance and published by Morgan & Claypool Publishers. This book was released on 2017-09-28 with total page 101 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is a short primer on chemical reaction rates based on a six-lecture first-year undergraduate course taught by the author at the University of Oxford. The book explores the various factors that determine how fast or slowly a chemical reaction proceeds and describes a variety of experimental methods for measuring reaction rates. The link between the reaction rate and the sequence of steps that makes up the reaction mechanism is also investigated. Chemical reaction rates is a core topic in all undergraduate chemistry courses.

Chemistry 2e

Author : Paul Flowers
Publisher :
ISBN 13 : 9781951693008
Total Pages : 0 pages
Book Rating : 4.6/5 (93 download)

DOWNLOAD NOW!

Book Synopsis Chemistry 2e by : Paul Flowers

Beyond the Molecular Frontier

Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309168392
Total Pages : 238 pages
Book Rating : 4.3/5 (91 download)

DOWNLOAD NOW!

Book Synopsis Beyond the Molecular Frontier by : National Research Council

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.