Automated reaction mechanism generation : improving accuracy and broadening scope

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 2012. === Cataloged from PDF version of thesis. === Includes bibliographical references (p. 169-186). === Chemical kinetic modeling plays an important role in the study of reactive chemical systems. Thus, an autom...

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Bibliographic Details
Main Author: Magoon, Gregory Russell
Other Authors: William H. Green.
Format: Others
Language:English
Published: Massachusetts Institute of Technology 2013
Subjects:
Online Access:http://hdl.handle.net/1721.1/76484