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Predicting Activation Enthalpies of Cytochrome-P450-Mediated Hydrogen Abstractions. 2. Comparison of Semiempirical PM3, SAM1, and AM1 with a Density Functional Theory Method
Mayeno, Arthur N., Robinson, Jonathan L., Yang, Raymond S. H., Reisfeld, BradVolume:
49
Langue:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/ci8003946
Date:
July, 2009
Fichier:
PDF, 2.44 MB
english, 2009