Mass spectrometric and theoretical deter
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Karine Trouk-Pointet; Arielle Milliet; Marie-France Renou-Gonnord
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Article
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1995
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John Wiley and Sons
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English
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## Abstract Proton affinities (PAs) in the gas phase have been calculated for a series of polynuclear aromatic hydrocarbons by MOPAC 6.0 using AM1 and PM3 Hamiltonians and compared to the experimental values published in the literature. A correlation between PAs and the reactional competition leadi