In the present investigation, we report the enthalpy of dehydration and the enthalpy of sublimation of a number of organic hydrates and their anhydrous counterparts. These values are used to test the transferability of a set of atom–atom potential parameters, originally derived for carboxylic acids. The calculations showed that the parameter set was transferable to a fairly good degree.
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© 1983 American Institute of Physics.
1983
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