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crystal structure prediction - I. Rigid molecules.
Panagiotis G. Karamertzanis
Constantinos C. Pantelides
Published in:
J. Comput. Chem. (2005)
Keyphrases
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prediction accuracy
prediction model
real world
prediction error
chemical reactions
real time
neural network
social networks
image processing
multiscale
artificial neural networks
closed form
structural properties