Search Results - "Mussoni, Laura"
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Electron Affinities of Polycyclic Aromatic Hydrocarbons by Means of B3LYP/6-31+G Calculations
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25-05-2006)“…The gas-phase experimental adiabatic electron affinities (AEAs) of the polycyclic aromatic hydrocarbons (PAHs) anthracene, tetracene, pentacene, chrysene,…”
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Rapid quantitative prediction of ionization energies and electron affinities of polycyclic aromatic hydrocarbons
Published in Chemical physics (14-02-2007)“…Quantitative structure–activity relationship (QSAR) studies of polycyclic aromatic hydrocarbons (PAHs) often employ rapid semiempirical calculations to…”
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Journal Article