1st Edition
Chemical Reaction Networks A Graph-Theoretical Approach
304 Pages
by
CRC Press
304 Pages
by
CRC Press
304 Pages
by
CRC Press
Also available as eBook on:
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... Read more
Introduction. Graph Theory Assistance in Studies of Elementary Steps of Complex Reactions: The Concept of an Elementary Step. A Reaction as a Combinatorial Object. Enumeration of Reaction Classes. Topological Heuristics. Other Heuristics. Reaction Mechanisms and Networks: Application of Graph Theory to Reaction Networks: An Overview of Different Methods and Eventsm. Linear Reaction Networks. Nonlinear Reaction Networks. Classification of Reaction Mechanisms Based on Bipartite Graphs: Classification of Simple Submechanisms. Submechanism Graphs. Balanced Mechanisms. Partially Balanced Mechanisms. Unbalanced Mechanisms. Complexity of Reaction Mechanisms: Introduction. Complexity of Chemical Graphs. Kinetic Complexity Index for Linear Reaction Networks. Stoichiometric Complexity Index of Reaction Networks. Topological Structure of a Mechanism and Its Kinetic Analysis: Topological Structure of Mechanisms and the Structure of Kinetic Model. Analysis of Conjugation Nodes. Topological Structure of Mechanisms and "Dimensionless" Rate Equations. Subject Index. Each Chapter also Includes a List of References and Notes.
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Shorter TOC
Biography
Temkin\, Oleg N.; Zeigarnik\, Andrew V.; Bonchev\, D.G.
