Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 2. Elementary Reaction Paths

Title
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 2. Elementary Reaction Paths
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 117, Issue 44, Pages 11126-11135
Publisher
American Chemical Society (ACS)
Online
2013-10-04
DOI
10.1021/jp408113w

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