Foundations Of Chemical Reaction Network Theory
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Foundations Of Chemical Reaction Network Theory
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Author : Martin Feinberg
language : en
Publisher: Springer
Release Date : 2019-01-31
Foundations Of Chemical Reaction Network Theory written by Martin Feinberg and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-31 with Mathematics categories.
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.
Chemical Reaction Networks
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Author : Oleg N. Temkin
language : en
Publisher: CRC Press
Release Date : 2020-07-24
Chemical Reaction Networks written by Oleg N. Temkin and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-24 with Science categories.
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.
Reaction Rate Theory And Rare Events
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Author : Baron Peters
language : en
Publisher: Elsevier
Release Date : 2017-03-22
Reaction Rate Theory And Rare Events written by Baron Peters and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-22 with Technology & Engineering categories.
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
Out Of Equilibrium Supra Molecular Systems And Materials
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Author : Nicolas Giuseppone
language : en
Publisher: John Wiley & Sons
Release Date : 2021-03-30
Out Of Equilibrium Supra Molecular Systems And Materials written by Nicolas Giuseppone and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-30 with Science categories.
A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.
Dna Computing And Molecular Programming
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Author : Chris Thachuk
language : en
Publisher: Springer
Release Date : 2019-07-30
Dna Computing And Molecular Programming written by Chris Thachuk and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-07-30 with Computers categories.
This book constitutes the refereed proceedings of the 25th International Conference on DNA Computing and Molecular Programming, DNA 25, held in Seattle, WA, USA, in August 2019. The 12 full papers presented were carefully selected from 19 submissions. The papers cover a wide range of topics relating to biomolecular computing such as algorithms and models for computation on biomolecular systems; computational processes in vitro and in vivo; molecular switches, gates, devices, and circuits; molecular folding and self-assembly of nanostructures; analysis and theoretical models of laboratory techniques; molecular motors and molecular robotics; information storage; studies of fault-tolerance and error correction; software tools for analysis, simulation, anddesign; synthetic biology and in vitro evolution; and applications in engineering, physics, chemistry, biology, and medicine.
Out Of Equilibrium Supra Molecular Systems And Materials
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Author : Nicolas Giuseppone
language : en
Publisher: John Wiley & Sons
Release Date : 2021-07-19
Out Of Equilibrium Supra Molecular Systems And Materials written by Nicolas Giuseppone and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-07-19 with Science categories.
Out-of-Equilibrium (Supra)molecular Systems and Materials A must-have resource that covers everything from out-of-equilibrium chemical systems to active materials Out-of-Equilibrium (Supra)molecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use molecular and supramolecular bonds in various out-of-equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative chemical systems that adapt their structures in space and time when fueled by an external source of energy. The contributors also examine molecules, nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores living supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical networks and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of out-of-equilibrium self-assemblies to molecular machines and active materials Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium (Supra)molecular Systems and Materials is an indispensable resource written by top scientists in the field.
Computer Algebra In Scientific Computing
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Author : François Boulier
language : en
Publisher: Springer Nature
Release Date : 2020-10-17
Computer Algebra In Scientific Computing written by François Boulier and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-17 with Computers categories.
This book constitutes the refereed proceedings of the 22nd International Workshop on Computer Algebra in Scientific Computing, CASC 2020, held in Linz, Austria, in September 2020. The conference was held virtually due to the COVID-19 pandemic. The 34 full papers presented together with 2 invited talks were carefully reviewed and selected from 41 submissions. They deal with cutting-edge research in all major disciplines of computer algebra. The papers cover topics such as polynomial algebra, symbolic and symbolic-numerical computation, applications of symbolic computation for investigating and solving ordinary differential equations, applications of CAS in the investigation and solution of celestial mechanics problems, and in mechanics, physics, and robotics.
Stochastic Chemical Reaction Systems In Biology
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Author : Hong Qian
language : en
Publisher: Springer Nature
Release Date : 2021-10-18
Stochastic Chemical Reaction Systems In Biology written by Hong Qian and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-18 with Mathematics categories.
This book provides an introduction to the analysis of stochastic dynamic models in biology and medicine. The main aim is to offer a coherent set of probabilistic techniques and mathematical tools which can be used for the simulation and analysis of various biological phenomena. These tools are illustrated on a number of examples. For each example, the biological background is described, and mathematical models are developed following a unified set of principles. These models are then analyzed and, finally, the biological implications of the mathematical results are interpreted. The biological topics covered include gene expression, biochemistry, cellular regulation, and cancer biology. The book will be accessible to graduate students who have a strong background in differential equations, the theory of nonlinear dynamical systems, Markovian stochastic processes, and both discrete and continuous state spaces, and who are familiar with the basic concepts of probability theory.
Chemical Reactions
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Author : Antonio Laganà
language : en
Publisher: Springer
Release Date : 2018-01-17
Chemical Reactions written by Antonio Laganà and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-17 with Science categories.
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.
The Statistical Mechanics Of Irreversible Phenomena
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Author : Pierre Gaspard
language : en
Publisher: Cambridge University Press
Release Date : 2022-07-28
The Statistical Mechanics Of Irreversible Phenomena written by Pierre Gaspard and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-07-28 with Science categories.
This book provides a comprehensive and self-contained overview of recent progress in nonequilibrium statistical mechanics, in particular, the discovery of fluctuation relations and other time-reversal symmetry relations. The significance of these advances is that nonequilibrium statistical physics is no longer restricted to the linear regimes close to equilibrium, but extends to fully nonlinear regimes. These important new results have inspired the development of a unifying framework for describing both the microscopic dynamics of collections of particles, and the macroscopic hydrodynamics and thermodynamics of matter itself. The book discusses the significance of this theoretical framework in relation to a broad range of nonequilibrium processes, from the nanoscale to the macroscale, and is essential reading for researchers and graduate students in statistical physics, theoretical chemistry and biological physics.