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Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species.
Ivana Matanovic
Plamen Atanassov
Boris Kiefer
Fernando H. Garzon
Neil J. Henson
Published in:
J. Comput. Chem. (2014)
Keyphrases
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upper bound
high accuracy
worst case
three dimensional
high quality
computationally efficient
theoretical framework
real world
viewpoint
image data
object surface
surface model
image sequences
principal component analysis
error bounds
range data