A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and Its Applications to Heterogeneous Catalysis

Adri C.T. van Duin, Chenyu Zou, Kaushik Joshi, Vyascheslav Bryantsev, William A. Goddard

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish (US)
Title of host publicationRSC Catalysis Series
EditorsAravind Asthagiri, Michael Janik
PublisherRoyal Society of Chemistry
Pages280-300
Number of pages21
DOIs
StatePublished - Dec 20 2024

Publication series

NameRSC Catalysis Series
Volume48
ISSN (Print)1757-6725
ISSN (Electronic)1757-6733

All Science Journal Classification (ASJC) codes

  • Catalysis
  • General Chemistry

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