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20062008
most citedOn-line database of the spectral properties of polycyclic aromatic hydrocarbons

204 citations · 901 across the 10 of their papers we have counts for

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cond-mat.mtrl-sci2007★ 30 cited

Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons

Miguel A. L. Marques, Alberto Castro, Giuliano Malloci +2

The van der Waals dispersion coefficients of a set of polycyclic aromatic hydrocarbons, ranging in size from the single-cycle benzene to circumovalene (C66H20), are calculated with…