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Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide.
Pablo Echenique
Iván Calvo
José Luis Alonso
Published in:
J. Comput. Chem. (2006)
Keyphrases
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constrained optimization
indirect effects
three dimensional
constraint satisfaction
neural network
constraint programming
quantum mechanics
nash equilibrium
mathematical program