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Path Integral-Free Energy Perturbation (PI-FEP) Simulations: Kinetic Isotope Effects of Proton/Deuteron Transfer Reactions in Aqueous Solution

  • Jiali Gao
  • , Gavin Shuai Huang
  • , Amber Simon
  • , Elinor Caballero
  • , Kai Chen
  • , Mikayla Z. Fahrenbruch
  • , Dallin Fairbourn
  • , Ian Harreschou
  • , Skyler Kauffman
  • , Calvin Thoma
  • , Marissa D. Zamora

Research output: Contribution to journal › Review article › peer-review

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Chemistry

Biochemistry, Genetics and Molecular Biology