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Hydration of divalent lanthanides, Sm2+ and Eu2+: A molecular dynamics study with polarizable AMOEBA force field.

Hesam ArabzadehChengwen LiuOrlando AcevedoPengyu RenWei YangThomas Albrecht-Schönzart
Published in: J. Comput. Chem. (2022)
Keyphrases
  • molecular dynamics
  • force field
  • scientific data
  • database systems
  • pairwise
  • molecular dynamics simulations