Chemical Reaction Networks: A Graph-Theoretical Approach
Autor Oleg N. Temkin, Andrew V. Zeigarnik, D.G. Boncheven Limba Engleză Paperback – 2 dec 2019
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.
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Specificații
ISBN-13: 9780367448479
ISBN-10: 0367448475
Pagini: 304
Dimensiuni: 156 x 234 x 16 mm
Greutate: 0.45 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press
Locul publicării:Boca Raton, United States
ISBN-10: 0367448475
Pagini: 304
Dimensiuni: 156 x 234 x 16 mm
Greutate: 0.45 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press
Locul publicării:Boca Raton, United States
Public țintă
ProfessionalCuprins
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.
Shorter TOC
Shorter TOC
Notă biografică
Temkin\, Oleg N.; Zeigarnik\, Andrew V.; Bonchev\, D.G.
Descriere
This book attempts to highlight some selected aspects of the studies on the classification and coding of chemical reaction mechanisms, while emphasizing the application of graph theory to mechanistic theory and chemical kinetics.