AVDO model achieves sub-kcal/mol accuracy for exchange-repulsion in 1872 organic dimer pairs using two transferable universal parameters for molecules containing H, C, N, O, F, P, S, Cl, and Br.
Gavezzotti, Calculation of intermolecular interacti on energies by direct numerical integration over electron densities
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A Transferable Model of Molecular Exchange-Repulsion Interaction from Anisotropic Valence Density Overlap
AVDO model achieves sub-kcal/mol accuracy for exchange-repulsion in 1872 organic dimer pairs using two transferable universal parameters for molecules containing H, C, N, O, F, P, S, Cl, and Br.