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In this context, it is important to note that the bond dissociation energy of hydrogen bonds is usually higher in the gas phase due to the lack of solvent competition.
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The semiempirical calculations were conducted with the MacSpartan program package (Wavefunction Inc., 18401 Von Karman, Suite 370, Irvine, CA, 92715).
-
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note
-
It is not possible to quantify this interaction for the calixarenes. For another, tetrameric capsule, a lower limit of 3.6 kcal/mol has been determined. See ref 4b.
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0344475425
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note
-
+@22] are distributed over a large mass range (m/z = 2495-3280). Therefore, the deviation of the intensity ratios from the statistical 1:2:1 may be due to mass discrimination effects. Since our arguments are qualitative in nature, we did not quantify these effects for the particular instrument used.
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