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A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization of s-cis butadiene.

Marco GaravelliFabrizio RuggeriFrancois OgliaroMichael J. BearparkFernando BernardiMassimo OlivucciMichael A. Robb
Published in: J. Comput. Chem. (2003)
Keyphrases
  • force field
  • three dimensional
  • multiscale