High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions

<jats:title>Abstract</jats:title><jats:p>Quantitative chemical reaction data, including activation energies and reaction rates, are crucial for developing detailed kinetic mechanisms and accurately predicting reaction outcomes. However, such data are often difficult to find, and hi...

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Bibliographic Details
Main Authors: Spiekermann, Kevin, Pattanaik, Lagnajit, Green, William H
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: Springer Science and Business Media LLC 2022
Online Access:https://hdl.handle.net/1721.1/144281