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

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

1 Scopus citations
Original languageEnglish
Title of host publicationRSC Catalysis Series
EditorsAravind Asthagiri, Michael Janik
PublisherRoyal Society of Chemistry
Pages280-300
Number of pages21
DOIs
StatePublished - Dec 20 2024
Externally publishedYes

Publication series

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

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