Deconstructing the Supra-Molecular Interactions in Bulk - Intrinsic Synthons

3 Deconstructing the Supra-Molecular Interactions in Bulk - Intrinsic Synthons 

The use of these atom-atom potentials has been validated extensively by comparing the theoretical values against the known crystal structures and experimentally measured lattice energies derived from sublimation enthalpies [23]. A particular 

TABLE 8.2 Eight Strongest Inter-Molecular Interactions from D-mannitol (CSD refcode DMANTL09 [15]) 

Bond Type of Interaction Multiplicity Distance (A) Inter-Molecular Energy (kcal/mol) % Contribution to Lattice Energy 

Top eight interactions make up over 70% of the lattice energy therefore majority of important inter-molecular interactions. 

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