Dear fellow researchers,

I'm looking for a practical walkthrough to predict the crystal lattice energy (or sublimation energy) of a molecular salt.

Let's say, for example, that I want to predict the energy required to transfer the ion pair [ammonium+][benzoate-] from the solid phase to the gas phase. Here I neglect any dissociation, I just want to get the sublimation energy of the salt, as if it was a single molecule. How do I concretely proceed?

Do you have some advice regarding the best relevant, possibly open source software to carry out this task?

The tutorials I find on the website seem focused on metallic materials, but I'm interested in organic salts.

Thanks in advance and best regards.

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