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Computed versus experimental energy barriers in solution: Influence of the type of the density functional approximation.

Aurore E. F. DenjeanJordan RioIlaria CiofiniMarie-Eve L. PerrinPierre-Adrien Payard
Published in: J. Comput. Chem. (2024)
Keyphrases
  • approximation methods
  • real time
  • neural network
  • information systems
  • experimental data
  • linear equations
  • real world
  • image processing
  • closed form
  • energy minimization
  • minimum energy