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Browsing Research Articles (University of Pretoria) by Subject "QTAIM"
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Protonation sequence of linear aliphatic polyamines from intramolecular atomic energies and charges (2011-06)The analysis of intramolecular atomic energies and charges, obtained from QTAIM, strongly and unambiguously suggests that the most stable HL+ form of a linear triamine H2N(CH2)2NH(CH2)3NH2 (L) has the secondary nitrogen ...
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