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Force-field modeling through quantum mechanical calculations: Molecular dynamics simulations of a nematogenic molecule in its condensed phases.

Ivo CacelliCarlo Federico LamiGiacomo Prampolini
Published in: J. Comput. Chem. (2009)
Keyphrases
  • force field
  • active contour model
  • molecular dynamics simulations
  • active contours
  • molecular dynamics