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However, the van der Waals energy for crystal structure IIIa, is slightly stronger than that of structure IIIb – which may be viewed as a hint of a metastable packing preference for IIIa, overcome by the contribution of a more stabilising Coulomb energy to the overall more favourable lattice energy of structure IIIb.
The van der Waals energy for crystal structure IIIa, is slightly stronger than that of structure IIIb – which may be viewed as a hint of a metastable packing preference for IIIa, overcome, however, by the contribution of a more stabilising Coulomb energy to the overall more favourable lattice energy of structure IIIb.
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Pack preference in each model was analysed through a binary variable.
The latter is necessarily cooperative because of strong coupling imposed by the long-range packing preferences.
Here, the emphasis is being placed on their packing preferences, hydrogen bonding, Hirshfeld surface properties and phenyl embrace interactions.
Yet because of frustration there are still rampant violations of packing preferences and charge neutrality in the ground state, and the approach toward it bears a close analogy to glass relaxations.
This is unlikely to come from random sampling of even a very large sample space, but the odds are much improved by incorporating packing preferences revealed by a modest sized configurational library established from empirical potential calculations.
The packing preferences and geometries of atomic protein structures have long been studied as a characterizing feature of association [ 207], via probability density maps (PDMs) describing likelihoods of contacts [ 7, 151, 152].
Regression analyses were then run to examine possible predictors for pack preference for all three brands.
GEE binary regression analyses were conducted to explore sociodemographic and smoking-related predictor variables for the pack preference task.
Future research on the relationship between individual attitudes (ie, pack preference) and personal behaviours (ie, tobacco use) would clarify elements of this complicated issue.
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