Systematic Parametrization of Divalent 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)4429-4442
Number of pages14
JournalJournal of Chemical Theory and Computation
Volume16
Issue number7
DOIs
StatePublished - Jul 14 2020
Externally publishedYes

ASJC Scopus Subject Areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry

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