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Caio Firme

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Jul 2026

Coulomb 2D-Snapshot Model for Polycyclic Aromatic Hydrocarbons: A Simple Predictor of Electronic Properties

We extend the Coulomb Snapshot model from one-dimensional conjugated chains to two-dimensional polycyclic aromatic hydrocarbons (PAHs). The original 1D formulation, which quantifies π-electron delocalization through electron–nuclear Coulombic interactions, showed strong logarithmic correlations (R2 = 0.98) with experim...

Caio Firme · 0 citations

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