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- W1972334294 abstract "We investigate the electronic absorption spectra of several maximally pericondensed polycyclic aromatic hydrocarbon radical cations with time-dependent density functional theory calculations. We find interesting trends in the vertical excitation energies and oscillator strengths for this series containing pyrene through circumcircumcoronene, the largest species containing close to 100 carbon atoms. We discuss the implications of these new results for the size and structure distribution of the diffuse interstellar band carriers." @default.
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- W1972334294 date "2003-04-10" @default.
- W1972334294 modified "2023-09-27" @default.
- W1972334294 title "Time‐dependent Density Functional Theory Calculations of Large Compact Polycyclic Aromatic Hydrocarbon Cations: Implications for the Diffuse Interstellar Bands" @default.
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- W1972334294 doi "https://doi.org/10.1086/368103" @default.
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