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Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens.
Ivan Tubert-Brohman
Cristiano Ruch Werneck Guimarães
Matthew P. Repasky
William L. Jorgensen
Published in:
J. Comput. Chem. (2004)
Keyphrases
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empirical studies
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preprocessing
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semi supervised
data mining techniques
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