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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 H 2 N(CH 2 ) 2 NH(CH 2 ) 3 NH 2 (L) has the secondary nitrogen atom protonated, contradicting earlier reports. This is supported by the G(aq) value (at the RX3LYP/6-311++G(d,p)...
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