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An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2.

Diego SorbelliPaola BelanzoniLeonardo BelpassiJi-Woong LeeGianluca Ciancaleoni
Published in: J. Comput. Chem. (2022)
Keyphrases
  • state transition
  • state transitions
  • search strategies
  • transition model
  • real world
  • dynamic programming
  • mathematical programming
  • selection strategies