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Optimization of a molecular mechanics force field for type-II polyoxometalates focussing on electrostatic interactions: A case study.

Blandine CourcotAdam J. Bridgeman
Published in: J. Comput. Chem. (2011)
Keyphrases
  • type ii
  • force field
  • type i error
  • van der waals
  • three dimensional
  • active contours
  • active contour model
  • global optimization
  • deformable models
  • gradient vector flow
  • external force
  • computer vision
  • information theory