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Fig. 17 | Chemistry Central Journal

Fig. 17

From: Specific energy contributions from competing hydrogen-bonded structures in six polymorphs of phenobarbital

Fig. 17

Differences between sums of PIXEL energies, corrected for ΔE intra, for molecule clusters in polymorphs I, II, V, VI and X in comparison to the corresponding energy sums calculated for polymorph III of Pbtl. For each polymorph, clusters were generated by sequentially adding the 14 most important pairwise energies, ranked in the order of their contribution to the lattice energy from highest to lowest. For each Pbtl polymorph, a broken horizontal line indicates the difference to the corrected E T,Σ value of polymorph III, i.e. (E T,Σ + ΔE intra)Pbtl polymorph − (E T,Σ + ΔE intra)III

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