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Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models

  • Arkajyoti Sengupta
  • , Zhen Li
  • , Lin Frank Song
  • , Pengfei Li
  • , Kenneth M. Merz
  • Michigan State University
  • Yale University
  • Loyola University of Chicago
  • Department of Biochemistry and Molecular Biology

Research output: Contribution to journal › Article › peer-review

Original languageEnglish
Pages (from-to)869-880
Number of pages12
JournalJournal of Chemical Information and Modeling
Volume61
Issue number2
DOIs
StatePublished - Feb 22 2021
Externally publishedYes

ASJC Scopus Subject Areas

  • General Chemistry
  • General Chemical Engineering
  • Computer Science Applications
  • Library and Information Sciences

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