4. Thermodynamics
From a thermodynamic point of view, every molecule should exist :
at the external pressure p considered ;
at the temperature T considered ;
in the crystalline form with the lowest Gibbs free enthalpy G, generally corresponding to the most compact stack (but there are a few exceptions).
The formula for calculating G is as follows:
with : :
- H :
-
enthalpy of the system (represents its total energy),
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Thermodynamics
Polymorphism and physicochemical reactivity of a solid-state molecule
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