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.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2025 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
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.