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Examining the PM6 semiempirical method for pKa prediction across a wide range of oxyacids Sierra Rayne a,*, Kaya Forest b, and Ken J. Friesen a a Department of Chemistry, The University of Winnipeg,.

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  • Precedings
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  • Alcohols
  • phenols
  • MOPAC
  • alicyclic
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  • hydroxamic
  • semiempirical
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