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In the present paper, we apply our new semi-empirical method to characterize the oxidation by OH of a series of large polycyclic aromatic hydrocarbons (PAHs) adsorbed on a soot surface modeled by a large graphene-like cluster. This method is based on an electrostatic and induction contribution calculated at the SCF AM1 level to which a sum of two-body terms of the C (6) /R 6 form has...
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