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Computer aided molecular design coupled with molecular dynamics as a novel approach to design new lubricants.

Darinel Valencia-MarquezAntonio Flores-TlacuahuacAlejandro J. García-CuéllarLuis A. Ricardez-Sandoval
Published in: Comput. Chem. Eng. (2022)
Keyphrases
  • computer aided
  • molecular dynamics
  • design tools
  • computer aided design
  • database
  • numerical simulations
  • computer aided diagnosis