Calculation of the Proton Affinities of Primary, Secondary, and Tertiary Amines Using Semiempirical and ab initio Methods
نویسندگان
چکیده
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namensnennung 4.0 Lizenz. Calculation of the Proton Affinities of Primary, Secondary, and Tertiary Amines Using Semiempirical and ab initio Methods
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Prediction of pKa values using the PM6 semiempirical method
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