A graph theoretical approach to the elucidation of reaction mechanisms: Analysis of the chlorine electrode reaction

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A graph theoretical approach to the elucidation of reaction mechanisms: Analysis of the chlorine electrode reaction

A methodology and algorithm are proposed in this work to conceive a limited set of dependent elementary reaction steps for a reaction mechanism by exploiting the reaction route (RR) graph of the mechanism. These steps are constrained by the conservation principles and must be subjected to thermodyna...

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Bibliographic Details
Main Authors:	Periasamy, Vijay, Tade, Moses, Fishtik, I., Datta, R.
Format:	Journal Article
Published:	Elsevier 2013
Subjects:	Reaction mechanism elucidation Graph theory Reaction routes Chlorine electrode reaction Algorithmic approach
Online Access:	http://hdl.handle.net/20.500.11937/45200

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