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. Author manuscript; available in PMC: 2020 Sep 1.
Published in final edited form as: Int J Mass Spectrom. 2019 Jun 15;443:93–100. doi: 10.1016/j.ijms.2019.06.004

Table 1.

Thermochemistry of conformers A, C, and D at 298 K.a

Conformer ΔH°
(kJ·mol−1)		 ΔS°
(J·K−1 mol−1)		 −TΔS°
(kJ·mol−1)		 ΔCp
(kJ·K−1·mol−1)
A −50.4 ± 3.1 −179.8 ± 9.5 53.6 ± 2.8 1.6 ± 0.3
C 86.6 ± 17.0 275.1± 54.7 −82.0 ± 16.3 −2.2 ± 0.4
D 148.6 ± 42.6 446.3 ± 141.5 −133.0 ± 42.2 −2.9 ± 1.6
a

Values are for a 150 mM ammonium acetate solution at pH 6.9.