Reaction route graphs: III. Non-minimal kinetic mechanisms
Article Abstract:
The concept of reaction route (RR) graphs that produce minimal graphs is extended to the problem of non-minimal kinetic mechanism for the case of a single overall reaction (OR). A RR graph is said to be minimal if all of the stoichiometric numbers in all direct RRs of the mechanism are equal to (plusmn)1 and non-minimal if at least one stoichiometric number in a direct RR is non-unity.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Reaction route graphs: I. theory and algorithm
Article Abstract:
A new algorithm for the rigorous visualization and analysis of reaction route (RR) networks, which is based on the combined use of graph theory, RR theory, micro kinetic analysis, and an analogy with electrical circuits, is presented. The topological features of the RR graph are discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Reaction route graphs: II examples of enzyme- and surface-catalyzed single overall reactions
Article Abstract:
The reaction routes (RR) approach and the graph-theoretical approach are closely interrelated. The limitations of graph-theoretical methods, and the advantages of RR graphs for single overall reactions, with minimal kinetic mechanisms, are discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
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