Simulating Metal-Imidazole Complexes

Zhen Li, Subhamoy Bhowmik, Luca Sagresti, Giuseppe Brancato, Madelyn Smith, David E. Benson, Pengfei Li, Kenneth M. Merz

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)6706-6716
Number of pages11
JournalJournal of Chemical Theory and Computation
Volume20
Issue number15
DOIs
StatePublished - Aug 13 2024
Externally publishedYes

ASJC Scopus Subject Areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry

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