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, and DFT methods in evaluating metal-ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn-biomimetic complexes.
Gilles Frison
Gilles Ohanessian
Published in:
J. Comput. Chem. (2008)
Keyphrases
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significant improvement
preprocessing
data mining
high dimensional data
frequency domain
machine learning methods