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. 2012 Nov 27;13(1):19–23. doi: 10.1021/cg301506x

Table 1. Relative Lattice Energies (ΔElatt/kJ mol–1) for Gallic Acid Anhydrate and Monohydrate Polymorphs Based on Periodic DFT-D ab Initio Calculations (Supporting Information).

anhydrates AH-I AH-II° AH-III    
ΔElatt +1.9 0 +3.2    
monohydrates MH-I° MH-II MH-III MH-IV MH-V
ΔElatt +1.5 +5.1 +1.0 0 +11.6