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Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide.

Pablo EcheniqueIván CalvoJosé Luis Alonso
Published in: J. Comput. Chem. (2006)
Keyphrases
  • constrained optimization
  • indirect effects
  • three dimensional
  • constraint satisfaction
  • neural network
  • constraint programming
  • quantum mechanics
  • nash equilibrium
  • mathematical program