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. Author manuscript; available in PMC: 2011 Jan 14.
Published in final edited form as: J Phys Chem B. 2010 Jan 14;114(1):349–360. doi: 10.1021/jp9082085

Scheme 1.

Scheme 1

Structures studied: (1) N-methyl piperazine, (2a) N-methyl piperazine protonated at the secondary nitrogen (NMps, see text), (2b) N-methyl piperazine protonated at the tertiary nitrogen (NMpt, see text), (3) N-methyl piperazine diprotonated, (4) 4-methyl piperidine, (5) N-methyl piperidine protonated, (6) piperidine, (7) N-methyl piperidine, (8) piperazine. Asymmetrically substituted piperazines (see text) have the substituent in place of the methyl group of structure 1.