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Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study.
Tamar Ansbacher
Hemant Kumar Srivastava
Jan M. L. Martin
Avital Shurki
Published in:
J. Comput. Chem. (2010)
Keyphrases
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significant improvement
computational cost
case study
machine learning methods
benchmark datasets
data mining
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computational complexity
preprocessing
wavelet transform
machine learning algorithms
statistical methods