Benchmarking the Performance of the ReaxFF Reactive Force Field on Hydrogen Combustion Systems

  • Luke W. Bertels
  • , Lucas B. Newcomb
  • , Mohammad Alaghemandi
  • , Jason R. Green
  • , Martin Head-Gordon

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)5631-5645
Number of pages15
JournalJournal of Physical Chemistry A
Volume124
Issue number27
DOIs
StatePublished - Jul 9 2020

ASJC Scopus Subject Areas

  • Physical and Theoretical Chemistry

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