Computational study of one-step polar Diels–Alder reactions using the NEB method for the minimum energy paths search

  • Miguel A. Díaz, José G. Parra, David S. Coll
  • Molecular Simulation, February 2017, Taylor & Francis
  • DOI: 10.1080/08927022.2017.1287910

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http://dx.doi.org/10.1080/08927022.2017.1287910