Foundations of Chemical Reaction Network Theory

Foundations of Chemical Reaction Network Theory

Author: Martin Feinberg

Publisher: Springer

Published: 2019-01-31

Total Pages: 475

ISBN-13: 3030038580

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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.


Foundations of Chemistry

Foundations of Chemistry

Author: Philippa B. Cranwell

Publisher: John Wiley & Sons

Published: 2021-08-02

Total Pages: 595

ISBN-13: 1119513871

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FOUNDATIONS OF CHEMISTRY A foundation-level guide to chemistry for physical, life sciences and engineering students Foundations of Chemistry: An Introductory Course for Science Students fills a gap in the literature to provide a basic chemistry text aimed at physical sciences, life sciences and engineering students. The authors, noted experts on the topic, offer concise explanations of chemistry theory and the principles that are typically reviewed in most one year foundation chemistry courses and first year degree-level chemistry courses for non-chemists. The authors also include illustrative examples and information on the most recent applications in the field. Foundations of Chemistry is an important text that outlines the basic principles in each area of chemistry - physical, inorganic and organic - building on prior knowledge to quickly expand and develop a student's knowledge and understanding. Key features include: Worked examples showcase core concepts and practice questions. Margin comments signpost students to knowledge covered elsewhere and are used to highlight key learning objectives. Chapter summaries list the main concepts and learning points.


Theories of Molecular Reaction Dynamics

Theories of Molecular Reaction Dynamics

Author: Niels E. Henriksen

Publisher: Oxford University Press, USA

Published: 2008

Total Pages: 391

ISBN-13: 0199203865

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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 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.


Foundations for Teaching Chemistry

Foundations for Teaching Chemistry

Author: Keith S. Taber

Publisher: Routledge

Published: 2019-12-05

Total Pages: 187

ISBN-13: 135123384X

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Chemistry is a subject that has the power to engage and enthuse students but also to mystify and confound them. Effective chemistry teaching requires a strong foundation of subject knowledge and the ability to transform this into teachable content which is meaningful for students. Drawing on pedagogical principles and research into the difficulties that many students have when studying chemical concepts, this essential text presents the core ideas of chemistry to support new and trainee chemistry teachers, including non-specialists. The book focuses on the foundational ideas that are fundamental to and link topics across the discipline of chemistry and considers how these often complex notions can be effectively presented to students without compromising on scientific authenticity. Chapters cover: the nature of chemistry as a science the chemistry triplet substances and purity in chemistry the periodic table energy in chemistry and chemical bonding contextualising and integrating chemical knowledge Whilst there are a good many books describing chemistry and many others that offer general pedagogic guidance on teaching science, Foundations for Teaching Chemistry provides accounts of core chemical topics from a teaching perspective and offers new and experienced teachers support in developing their own ‘chemical knowledge for teaching’.


Foundations of Inorganic Chemistry

Foundations of Inorganic Chemistry

Author: Gary Wulfsberg

Publisher: University Science Books

Published: 2017-11-02

Total Pages: 0

ISBN-13: 9781891389955

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Foundations of Inorganic Chemistry by Gary Wulfsberg is our newest entry into the field of Inorganic Chemistry textbooks, designed uniquely for a one-semester stand alone course, or to be used in the first semester of a full year inorganic sequence. By covering virtually every topic in the test from the 2016 ACS Exams Institute, this book will prepare your students for success. The new book combines careful pedagogy, clear writing, beautifully rendered two-color art, and solved examples, with a broad array of original, chapter-ending exercises. It assumes a background in General Chemistry, but reviews key concepts, and also assumes enrollment in a Foundations of Organic Chemistry course. Symmetry and molecular orbital theory are introduced after the student has developed an understanding of fundamental trends in chemical properties and reactions across the periodic table, which allows MO theory to be more broadly applied in subsequent chapters. Key Features include: Over 900 end-of-chapter exercises, half answered in the back of the book.Over 180 worked examples.Optional experiments & demos.Clearly cited connections to other areas in chemistry and chemical sciencesChapter-opening biographical vignettes of noted scientists in Inorganic Chemistry.Optional General Chemistry review sections.


Essentials of Computational Chemistry

Essentials of Computational Chemistry

Author: Christopher J. Cramer

Publisher: John Wiley & Sons

Published: 2013-04-29

Total Pages: 624

ISBN-13: 1118712277

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Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.


Chemical Property Estimation

Chemical Property Estimation

Author: Edward Baum

Publisher: CRC Press

Published: 2018-05-11

Total Pages: 404

ISBN-13: 1351461443

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Our world is widely contaminated with damaging chemicals, and companies create thousands of new, potentially dangerous chemicals each year. Due to the difficulty and expense of obtaining accurate measurements and the unreliability of reported values, we know surprisingly little about the properties of these contaminants. Determining the properties of chemicals is critical to judging their impact on environmental quality and in making decisions about emission rates, clean-up, and other important public health issues. Chemical Property Estimation describes modern methods of estimating chemical properties, methods which cost much less than traditional laboratory techniques and are sufficiently accurate for most environmental applications. Estimation methods are used to screen chemicals for testing, design monitoring and analysis methods, design clean-up procedures, and verify experimental measurements. The book discusses key methods for estimating chemical properties and considers their relative strengths and weaknesses. Several chapters are devoted to the partitioning of chemicals between air, water, soil, and biota; and properties such as solubility, vapor pressure, and chemical transport. Each chapter begins with a review of relevant theory and background information explaining the applications and limitations of each method. Sample calculations and practical advice on how and when to use each method are included as well. Each method is evaluated for accuracy and reliability. Computer software, databases, and internet resources are evaluated, as well as other supplementary material, such as fundamental constants, units of measure, and more.


Reaction Rate Theory and Rare Events

Reaction Rate Theory and Rare Events

Author: Baron Peters

Publisher: Elsevier

Published: 2017-03-22

Total Pages: 636

ISBN-13: 0444594701

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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