Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models

Zhen Li, Lin Frank Song, Pengfei Li, Kenneth M. Merz

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)2342-2354
Number of pages13
JournalJournal of Chemical Theory and Computation
Volume17
Issue number4
DOIs
StatePublished - Apr 13 2021
Externally publishedYes

ASJC Scopus Subject Areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry

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