Azulene-to-naphthalene rearrangement: the Car-Parrinello metadynamics method explores various reaction mechanisms

András Stirling1, Marcella Iannuzzi, Alessandro Laio

  • 1Computational Science, Department of Chemistry and Applied Biosciences ETH Zurich, USI Campus, Via Giuseppe Buffi 13, 6900 Lugano, Switzerland. stirling@phys.chem.ethz.ch

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